SCHEMBL6617757

SCHEMBL6617757

CCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccncc3)cc2O)cc1C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NAMPT P43490 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL6617307 0.95 CRACR2A (0.44) CRACR2AKDM4EKMT2AMEN1POLB
SCHEMBL6614832 0.91 CRACR2A (0.47) CRACR2AKDM4EKMT2AMEN1POLB
SCHEMBL6620772 0.88 MEN1 (0.40) KMT2AMEN1NAMPTMAPT
SCHEMBL6621026 0.87 CRACR2A (0.46) CRACR2AKDM4EKMT2AMEN1POLB
SCHEMBL6617319 0.87 RAB9A (0.40) CRACR2AKDM4EKMT2AMEN1NAMPT
SCHEMBL6617672 0.86 CRACR2A (0.47) CRACR2AKDM4EKMT2AMEN1POLB
SCHEMBL6608110 0.86 CRACR2A (0.44) CRACR2AKDM4ENAMPTLMNATDP1
SCHEMBL6608859 0.86 CRACR2A (0.46) CRACR2ANAMPTLMNAGAASTAT3
SCHEMBL6610153 0.86 MEN1 (0.41) CRACR2AKMT2AMEN1NAMPTMAPT
SCHEMBL6614766 0.85 ALDH1A1 (0.41) KDM4EPOLBALDH1A1MAPT

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
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