SCHEMBL4633237

SCHEMBL4633237

O=C(O)Oc1cc2c(NC(=O)c3ccc(N4CCS(=O)(=O)CC4)cc3)n[nH]c2s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.47
FLT3 P36888 4/20 0.47
AURKA O14965 9/20 0.45
FGFR1 P11362 3/20 0.43
KDR P35968 2/20 0.43
NTRK1 P04629 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
AURKB Q96GD4 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL4632688 0.89 AURKA (0.51) KITFLT3AURKAFGFR1KDR
SCHEMBL4632686 0.87 AURKA (0.47) KITFLT3AURKAFGFR1KDR
SCHEMBL4633594 0.80 FGFR1 (0.48) FLT3AURKAFGFR1
SCHEMBL4632583 0.80 NTRK1 (0.47) KITFLT3AURKAFGFR1KDR
SCHEMBL4632650 0.80 HDAC6 (0.42) FLT3FGFR1NTRK1KDM4EALDH1A1
SCHEMBL742913 0.79 AURKA (0.65) KITFLT3AURKA
SCHEMBL4631749 0.78 CDK2 (0.49) FGFR1
SCHEMBL4632616 0.78 KDR (0.46) KITFLT3KDRKDM4EALDH1A1
SCHEMBL4633324 0.78 ABL1 (0.47) KITFLT3AURKAKDRKDM4E
SCHEMBL4632622 0.78 HDAC6 (0.53) FLT3AURKAKDM4EALDH1A1

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