SCHEMBL14022280

SCHEMBL14022280

Cc1nc(N)c2cnn(-c3cccc(C(=O)OCc4ccccc4)c3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JMJD6 Q6NYC1 1/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL4789418 0.89 HTT (0.49) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5007660 0.85 MEN1 (0.48) MAPTHTTRAB9AKDM4E
SCHEMBL303719 0.80 TDP1 (0.45) TDP1MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL5011669 0.76 KDM4E (0.59) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1774427 0.76 TDP1 (0.44) TDP1MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL5009194 0.74 MEN1 (0.44) MAPTRAB9AADORA2A
SCHEMBL6167298 0.74 ALDH1A1 (0.58) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL14037083 0.74 NPC1 (0.67) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4789419 0.73 HTT (0.49) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4886620 0.72 JMJD6 (0.43) TDP1MAPTL3MBTL1ALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008135578-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION AND/OR ALLERGIC CONDITIONS GLAXO GROUP LIMITED (GB) 2008-11-13 WO disclosed