SCHEMBL28019394

SCHEMBL28019394

NCc1cc(-c2ncccc2-c2ccnc(N)n2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.47
CCNT1 O60563 3/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CDK9 P50750 3/20 0.39
PDPK1 O15530 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
HSP90AA1 P07900 2/20 0.38
AURKA O14965 1/20 0.38
PRKACA P17612 1/20 0.38
ADORA2A P29274 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PTK2 Q05397 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMO O15229 1/20 0.37
CDC7 O00311 1/20 0.37

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
SCHEMBL15638546 0.83 FEN1 (0.49) FEN1CCNT1CCNA2CDK2CDK9
SCHEMBL6581932 0.79 MAPK14 (0.51) FEN1CCNT1CCNA2CDK2CDK9
SCHEMBL28018889 0.73 TGFBR1 (0.62) CDK2CDK5PRKACACDC7TGFBR1
SCHEMBL27527497 0.72 LOXL2 (0.41) HSP90AA1HSP90AB1KDM4ERAB9ASMN1; SMN2
SCHEMBL27892075 0.70 CLK1 (0.50) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL21908761 0.70 CDK5 (0.53) FEN1CCNT1CCNA2CDK2CDK9
SCHEMBL29889857 0.70 CDK5 (0.53) FEN1CCNT1CCNA2CDK2CDK9
SCHEMBL28018884 0.70 TGFBR1 (0.38) FEN1HSP90AA1HSP90AB1KMOTGFBR1
SCHEMBL17177348 0.70 MPL (0.43) FEN1KMOTGFBR1DPP4
SCHEMBL18853922 0.69 ALOX5AP (0.40) FEN1HSP90AA1HSP90AB1TGFBR1DPP4

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
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed