SCHEMBL8135643

SCHEMBL8135643

CC(N)c1cc2cccnc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 11/20 0.47
DAO P14920 1/20 0.46
GCK P35557 4/20 0.46
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
RET P07949 3/20 0.42
KDR P35968 2/20 0.42
MAPT P10636 1/20 0.41
SNCA P37840 1/20 0.41

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
SCHEMBL2981817 0.86 DAO (0.49) RIPK1DAOGCKCCNB2CDK1
SCHEMBL29460593 0.83 DAO (0.50) RIPK1DAOGCKCCNB2CDK1
SCHEMBL23134497 0.83 DAO (0.50) RIPK1DAOGCKCCNB2CDK1
SCHEMBL8134947 0.83 DAO (0.46) RIPK1DAOGCKCCNB2CDK1
SCHEMBL31660957 0.80 RIPK1 (0.49) RIPK1DAOGCKCCNB2CDK1
SCHEMBL19121174 0.79 GCK (0.43) RIPK1DAOGCKCCNB2CDK1
SCHEMBL28111965 0.79 DAO (0.49) RIPK1DAOGCKCCNB2CDK1
SCHEMBL24076503 0.79 DAO (0.53) RIPK1DAOGCKCCNB2CDK1
SCHEMBL17601449 0.78 DAO (0.56) RIPK1DAOCCNB2CDK1CCNB1
SCHEMBL17601450 0.78 DAO (0.56) RIPK1DAOCCNB2CDK1CCNB1

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
EP-0737685-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-07-19 EP disclosed
EP-0737685-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-10-16 EP disclosed