SCHEMBL6626646

SCHEMBL6626646

CCC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3cccc(S(=O)(=O)C(F)(F)F)c3)cc2O)cc1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ HTR2B P41595 1/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ ACKR3 P25106 2/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL6615338 0.87 RAF1 (0.44) POLBMEN1KMT2ARAB9ALMNA
SCHEMBL6615991 0.83 NPSR1 (0.46) POLBMEN1KMT2ARAB9ARAF1
SCHEMBL6603569 0.81 TYK2 (0.40) ACKR3NPC1RAB9A
SCHEMBL6615959 0.81 P2RY14 (0.41) POLBACKR3MEN1KMT2ANPC1
SCHEMBL6616391 0.80 TYK2 (0.40) ACKR3NPC1RAB9A
SCHEMBL6615259 0.79 MEN1 (0.40) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6617186 0.79 GCGR (0.44) NPC1RAB9ANAMPT
SCHEMBL6616599 0.79 KMT2A (0.43) CA1CA2MEN1KMT2ALMNA
SCHEMBL6616176 0.79 RAB9A (0.43) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL6619499 0.79 CHRM5 (0.40) ROCK2NPC1RAB9ALMNAMAPK1

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 disclosed
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 disclosed
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