SCHEMBL754526

SCHEMBL754526

Brc1c[nH]c2nccc-2c1CC1CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
AXL P30530 1/20 0.30

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
SCHEMBL14739443 0.71 CIT (0.37)
SCHEMBL16654971 0.65 DAO (0.34)
SCHEMBL27535432 0.63 PRKCI (0.44) AXL
SCHEMBL20488636 0.57 NOS2 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL31508335 0.57 CYP11B1 (0.41)
SCHEMBL1865262 0.56 EED (0.43)
SCHEMBL13037092 0.56 EPHX2 (0.38)
SCHEMBL32691181 0.56 CYP11B1 (0.44) AXL
SCHEMBL22980418 0.55 CDK5 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL1767358 0.55

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-2430031-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals Inc. (US) 2012-03-21 EP disclosed
WO-2010130422-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed