SCHEMBL3356795

SCHEMBL3356795

CCOC(=O)Oc1ccc2[nH]c(-c3ccnc(Cl)n3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KCNQ2 O43526 1/20 0.40
▸ PDGFRB P09619 4/20 0.38
▸ PDGFRA P16234 4/20 0.38
▸ CA2 P00918 2/20 0.37
▸ MMP13 P45452 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ CDK5 Q00535 1/20 0.34

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
SCHEMBL3385162 0.85 IKBKB (0.47) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL4893442 0.83 HRH3 (0.48) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL28696935 0.79 KDM4E (0.52) KDM4ERAB9ANPC1PDGFRBPDGFRA
SCHEMBL3355241 0.74 IKBKB (0.49) PDGFRBPDGFRACA2
SCHEMBL28691325 0.72 KDM4E (0.51) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL28704770 0.71 ATP4A (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL2702407 0.71 GSK3B (0.56) CA2GSK3BCDK5
SCHEMBL2702040 0.70 IKBKB (0.49) KDM4ERAB9ANPC1PDGFRBPDGFRA
SCHEMBL28684481 0.70 CYP19A1 (0.49) KDM4EALDH1A1RAB9ANPC1LMNA
SCHEMBL9326916 0.70 KMT2A (0.44) KDM4EALDH1A1LMNAL3MBTL1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891049-B1 METHOD FOR PRODUCING 2-(2-AMINO-PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI SA (FR) 2017-07-19 — — EP disclosed
EP-2226319-B1 Process for the preparation of 2-(2-aminopyrimidin-4-yl)-1H-indol-5-carbonic acid derivatives SANOFI SA (FR) 2016-03-16 — — EP disclosed
EP-2226319-A1 Process for the preparation of 2-(2-Amino-pyrimidin-4-yl)-1H-indol-5-carbonic acid derivatives sanofi-aventis (FR) 2010-09-08 — — EP disclosed
EP-1891049-A1 METHOD FOR PRODUCING 2-(2-AMINO-PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES Sanofi-Aventis (FR) 2008-02-27 — — EP disclosed
WO-2006128585-A1 METHOD FOR PRODUCING 2-(2-AMINO-PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI-AVENTIS (DE) 2006-12-07 — — WO disclosed
Send feedback