SCHEMBL651138

SCHEMBL651138

Cn1ccnc1C(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(C(=O)NC(C)(C)c3ccccc3)oc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDR P35968 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
LMNA P02545 1/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
PRKCB P05771 1/20 0.35
MAPK1 P28482 1/20 0.35
KIT P10721 1/20 0.34
NAMPT P43490 1/20 0.34
ATM Q13315 1/20 0.34
GRM1 Q13255 1/20 0.34
RXFP2 Q8WXD0 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.33
FGFR4 P22455 1/20 0.33

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
SCHEMBL4089328 0.94 AURKA (0.43) AURKAKDM4EPOLBROCK2ROCK1
SCHEMBL2911561 0.88 ROCK2 (0.40) KDM4EPOLBROCK2ROCK1KDR
SCHEMBL2913924 0.88 KDR (0.36) AURKAKDM4EPOLBROCK2ROCK1
SCHEMBL654837 0.87 AURKA (0.42) AURKAKDM4EPOLBEGLN1LMNA
SCHEMBL652354 0.85 AURKA (0.41) AURKAEGLN1LMNAKITNAMPT
SCHEMBL650566 0.85 AURKA (0.40) AURKAROCK1EGLN1LMNAKIT
SCHEMBL652230 0.85 RXFP1 (0.42) AURKAPOLBLMNAMAPK1KIT
SCHEMBL653327 0.82 AURKA (0.40) AURKALMNAMAPK1RXFP1FGFR4
SCHEMBL651483 0.82 EGLN1 (0.40) AURKAEGLN1LMNAMAPK1ATM
SCHEMBL653328 0.82 AURKA (0.38) AURKAKDM4ELMNAMAPK1KIT

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
US-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US claimed
US-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US disclosed