SCHEMBL6617873

SCHEMBL6617873

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1ccno1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CRACR2A Q9BSW2 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ POLB P06746 1/20 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
SCHEMBL6615451 0.93 MAPK14 (0.43) MAPK14KDM4CKMT2AMEN1HTR2A
SCHEMBL6616464 0.92 KDM4C (0.42) MAPK14KDM4CKMT2AMEN1HTR2A
SCHEMBL6614689 0.88 MAPK14 (0.44) MAPK14KDM4CRORCKMT2AMEN1
SCHEMBL6615668 0.88 KDM4C (0.49) MAPK14KDM4CKMT2AMEN1HTR2A
SCHEMBL6615529 0.87 MAPK14 (0.41) MAPK14KDM4CKMT2AMEN1HTR2A
SCHEMBL6618457 0.86 MAPK14 (0.43) MAPK14KDM4CRORCKMT2AMEN1
SCHEMBL6617014 0.86 KDM4C (0.41) MAPK14KDM4CRORCKMT2AMEN1
SCHEMBL6615391 0.85 KMT2A (0.40) MAPK14KDM4CKMT2AMEN1HTR2A
SCHEMBL6618817 0.85 MAPK14 (0.43) MAPK14KDM4CKMT2AMEN1HTR2A
SCHEMBL6618316 0.85 MAPT (0.42) SMN1; SMN2LMNATP53MAPTCRACR2A

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
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
Send feedback