SCHEMBL4632620

SCHEMBL4632620

O=C(O)Oc1cc2c(NC(=O)c3ccc(CNC4CCC4)cc3)n[nH]c2s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.43
PRKD1 Q15139 1/20 0.38
CTNNB1 P35222 3/20 0.38
TCF7L2 Q9NQB0 3/20 0.38
PARP1 P09874 2/20 0.36
FLT3 P36888 3/20 0.36
KIT P10721 3/20 0.36
CHEK1 O14757 1/20 0.36
ULK1 O75385 1/20 0.35
AURKA O14965 1/20 0.35
CXCR4 P61073 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35

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
SCHEMBL2436119 0.87 ABL1 (0.43) HDAC1PRKD1CTNNB1TCF7L2FLT3
SCHEMBL3107639 0.87 HDAC1 (0.45) HDAC1PRKD1CTNNB1TCF7L2PARP1
SCHEMBL2434523 0.85 ABL1 (0.43) HDAC1PRKD1CTNNB1TCF7L2FLT3
SCHEMBL3101901 0.85 HDAC1 (0.47) HDAC1PRKD1CTNNB1TCF7L2PARP1
SCHEMBL2434540 0.83 ABL1 (0.42) HDAC1PRKD1CTNNB1TCF7L2FLT3
SCHEMBL3092925 0.83 HDAC1 (0.45) HDAC1PRKD1CTNNB1TCF7L2FLT3
SCHEMBL4632682 0.82 HDAC6 (0.38) HDAC1FLT3KIT
SCHEMBL4632670 0.82 FLT3 (0.51) HDAC1CTNNB1TCF7L2FLT3KIT
SCHEMBL4632616 0.81 KDR (0.46) HDAC1FLT3KIT
SCHEMBL4633324 0.81 ABL1 (0.47) HDAC1FLT3KITAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed