SCHEMBL6608110

SCHEMBL6608110

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 4/20 0.44
▸ NAMPT P43490 8/20 0.43
▸ ACKR3 P25106 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KCNK3 O14649 1/20 0.40

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
SCHEMBL6604168 0.95 CRACR2A (0.42) CRACR2ANAMPTACKR3KDM4ELMNA
SCHEMBL6618083 0.90 NAMPT (0.46) CRACR2ANAMPTACKR3
SCHEMBL6618415 0.88 MEN1 (0.44) NAMPTACKR3LMNA
SCHEMBL6624191 0.87 CRACR2A (0.46) CRACR2ANAMPTKDM4ELMNATDP1
SCHEMBL6617649 0.87 RAB9A (0.43) CRACR2ANAMPTACKR3KDM4ELMNA
SCHEMBL6616601 0.87 ACKR3 (0.48) ACKR3KDM4ELMNA
SCHEMBL6677022 0.86 NAMPT (0.45) CRACR2ANAMPTACKR3KDM4EKCNK3
SCHEMBL6614537 0.86 ACKR3 (0.41) ACKR3LMNA
SCHEMBL6617757 0.86 CRACR2A (0.45) CRACR2ANAMPTKDM4ELMNATDP1
SCHEMBL6613507 0.86 MAPT (0.42) NAMPTKDM4ELMNA

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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