SCHEMBL5808489

SCHEMBL5808489

Cc1[nH]c2c(C(=O)Nc3ccc(F)cc3)nccc2c1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.45
GSK3B P49841 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.42
GRM5 P41594 3/20 0.42
MEN1 O00255 1/20 0.42
BRAF P15056 1/20 0.41
KDM4E B2RXH2 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
THRB P10828 1/20 0.41
CDK2 P24941 1/20 0.40
CD38 P28907 1/20 0.40

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
SCHEMBL5808775 0.75 KDM4E (0.43) MAPTKMT2APOLBNPC1SMN1; SMN2
SCHEMBL5812057 0.74 GRM5 (0.46) MAPTKMT2APOLBNPC1RAB9A
SCHEMBL1738226 0.72 CYP1A2 (0.47) MAPTKMT2ARAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1736478 0.71 CYP1A2 (0.46) MAPTKMT2ARAB9AALDH1A1KDM4E
SCHEMBL1738348 0.71 CYP1A2 (0.38) MAPTKMT2AMEN1KDM4ECDK2
Hydrochloric Acid SCHEMBL1737586 0.70 CYP1A2 (0.38) MAPTKDM4ECDK2
SCHEMBL1737859 0.70 BCHE (0.58) MAPTALDH1A1KDM4ECDK2
SCHEMBL1735327 0.69 CYP1A2 (0.39) MAPTALDH1A1KDM4ECDK2
Hydrochloric Acid SCHEMBL1739555 0.68 CYP1A2 (0.39) MAPTALDH1A1KDM4ECDK2
SCHEMBL1738966 0.68 CYP1A2 (0.36) MAPTKMT2APOLBMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed