SCHEMBL4042003

SCHEMBL4042003

c1ccc2c(-c3c[nH]c4ccccc34)ncnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GPR55 Q9Y2T6 1/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ADORA2A P29274 1/20 0.51
▸ TDO2 P48775 5/20 0.50
▸ PDGFRB P09619 2/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ HTR5A P47898 1/20 0.50
▸ PDGFRA P16234 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31512553 1.00 MAPT (0.54) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL31469323 0.84 EGFR (0.58) MAPTSMN1; SMN2MEN1KMT2ATDO2
SCHEMBL16939183 0.80 JAK2 (0.58) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL6181492 0.79 EGFR (0.72) PDGFRBPDGFRA
SCHEMBL7027583 0.76 MAPT (0.54) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL13911021 0.76 ADORA2A (0.64) ALDH1A1LMNASMN1; SMN2ADORA2APIM1
SCHEMBL3075421 0.75 ADORA2A (0.75) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5249231 0.75 CDK5 (0.50) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL31469345 0.75 AURKB (0.48) TDO2
SCHEMBL38651268 0.74 MAPT (0.59) MAPTALDH1A1LMNACYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087391-A 4-indole quinazoline compound and preparation method and application thereof 郑州大学 2020-05-01 — — CN claimed
CN-109096254-B Quinazoline derivative and preparation method and application thereof 江西师范大学 2021-07-06 — — CN disclosed
CN-111087391-A 4-indole quinazoline compound and preparation method and application thereof 郑州大学 2020-05-01 — — CN disclosed
CN-106496196-A Or a kind of quinazoline, Pyridopyrimidine be double and pyrimidine derivatives egf inhibitor and preparation method thereof and purposes 南京雷科星生物技术有限公司 2017-03-15 — — CN disclosed
CN-101619042-B Method for synthesizing aromatic pyrimidine-4(3H)-ketone compounds UNIV ZHEJIANG TECHNOLOGY 2011-11-09 — — CN disclosed
CN-101619042-A Method for synthesizing aromatic pyrimidine-4(3H)-ketone compounds UNIV ZHEJIANG TECHNOLOGY 2010-01-06 — — CN disclosed
WO-2009103719-A1 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND USE AND PRODUCTION THEREOF FREIE UNIVERSITÄT BERLIN (DE) 2009-08-27 — — WO disclosed
WO-2009103719-A1 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND USE AND PRODUCTION THEREOF FREIE UNIVERSITÄT BERLIN (DE) 2009-08-27 — — WO disclosed
EP-1846396-A2 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND THEIR USE Freie Universität Berlin (DE) 2007-10-24 — — EP disclosed
EP-1846396-A2 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND THEIR USE Freie Universität Berlin (DE) 2007-10-24 — — EP disclosed
WO-2006084882-A8 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND THEIR USE UNIV BERLIN FREIE (DE) 2007-06-07 — — WO disclosed
WO-2006084882-A3 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND THEIR USE FREIE UNIVERSTIAET BERLIN (DE) 2006-12-07 — — WO disclosed
WO-2006084882-A2 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND THEIR USE FREIE UNIVERSITÄT BERLIN (DE) 2006-08-17 — — WO disclosed
WO-2006084882-A2 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND THEIR USE FREIE UNIVERSITÄT BERLIN (DE) 2006-08-17 — — WO disclosed
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