SCHEMBL4089328

SCHEMBL4089328

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
NAMPT P43490 1/20 0.38
EGLN1 Q9GZT9 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 2/20 0.36
PRKCB P05771 1/20 0.36
GRM1 Q13255 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 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
SCHEMBL651138 0.94 AURKA (0.40) AURKAROCK2ROCK1NAMPTEGLN1
SCHEMBL4078547 0.85 AURKA (0.46) AURKAEGLN1KDM4EPOLBMAPK1
SCHEMBL4086360 0.84 MAPK1 (0.47) AURKAEGLN1KDRMAPK1RAB9A
SCHEMBL4088217 0.84 AURKA (0.51) AURKAROCK2ROCK1MAPK1ABL1
SCHEMBL4082256 0.84 AURKA (0.44) AURKANAMPTEGLN1MAPK1TSHR
SCHEMBL4083886 0.83 AURKA (0.44) AURKAROCK1EGLN1MAPK1RAB9A
SCHEMBL4092674 0.82 AURKA (0.43) AURKAEGLN1MAPK1ABL1BCR
SCHEMBL2913924 0.82 KDR (0.36) AURKAROCK2ROCK1NAMPTEGLN1
SCHEMBL2911561 0.81 ROCK2 (0.40) ROCK2ROCK1NAMPTKDM4EPOLB
SCHEMBL4093027 0.81 RAB9A (0.44) AURKAKDM4EMAPTRAB9A

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-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed