SCHEMBL14989359

SCHEMBL14989359

Cc1ccsc1OC(=O)Nc1cc(CN2CC[C@@H](N)C2)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.53
▸ AURKB Q96GD4 6/20 0.53
▸ KCNH2 Q12809 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ PDGFRB P09619 3/20 0.33
▸ KDR P35968 2/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ KIT P10721 1/20 0.32

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
SCHEMBL14989335 0.93 AURKA (0.54) AURKAAURKBKCNH2HDAC1CDK5
SCHEMBL14988993 0.93 AURKA (0.54) AURKAAURKBKCNH2HDAC1CDK5
SCHEMBL14989064 0.91 AURKA (0.54) AURKAAURKBKCNH2HDAC1PDGFRB
SCHEMBL14989042 0.90 AURKA (0.59) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989132 0.89 AURKA (0.56) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989189 0.89 AURKA (0.57) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL4310288 0.88 AURKA (0.67) AURKAAURKBKCNH2HDAC1CDK5
SCHEMBL4310294 0.88 AURKA (0.67) AURKAAURKBKCNH2HDAC1CDK5
SCHEMBL4310284 0.88 AURKA (0.67) AURKAAURKBKCNH2HDAC1CDK5
SCHEMBL4310280 0.88 AURKA (0.67) AURKAAURKBKCNH2HDAC1CDK5

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-1847532-B1 IGF-1R INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2013-06-05 — — EP claimed
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