SCHEMBL4554436

SCHEMBL4554436

Cc1nn(C)c(-n2ccc3ccncc32)c1/C=C/C=O.[KH]

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.42
CYP19A1 P11511 3/20 0.39
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36

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
SCHEMBL962802 0.88 MAPT (0.45) MAPTCYP19A1CDC7CDK2RAPGEF4
SCHEMBL4553928 0.84 CA12 (0.35) MAPTCDC7CDK2RAPGEF4
SCHEMBL962758 0.84 ALDH1A1 (0.47) MAPTCYP19A1CDC7CDK2
SCHEMBL962759 0.84 ALDH1A1 (0.47) MAPTCYP19A1CDC7CDK2
SCHEMBL4554908 0.81 CDC7 (0.37) MAPTCDC7CDK2
SCHEMBL964749 0.80 CCNC (0.47) MAPTCYP19A1
SCHEMBL4554187 0.79 HTR2A (0.33)
SCHEMBL4553105 0.79 ROCK1 (0.41) MAPT
SCHEMBL4553594 0.78 KDM4E (0.35) MAPT
SCHEMBL4553471 0.78 SMN1; SMN2 (0.38) MAPTCDK2

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-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed