SCHEMBL6617207

SCHEMBL6617207

CC(C)NC(=O)n1nc(-c2cc(NC(=O)c3cccnc3)ccc2O)cc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 2/20 0.46
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 10/20 0.43
▸ NPC1 O15118 9/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ TP53 P04637 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PREP P48147 1/20 0.41
▸ FAP Q12884 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL6615742 0.97 CRACR2A (0.44) CRACR2AHTTRAB9ANPC1SMN1; SMN2
SCHEMBL6619830 0.88 CRACR2A (0.46) CRACR2ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL6619006 0.87 CRACR2A (0.46) CRACR2ATP53ALDH1A1GAALMNA
SCHEMBL6621069 0.84 CRACR2A (0.44) CRACR2ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL6616214 0.84 NAMPT (0.46) CRACR2AHTTRAB9ANPC1SMN1; SMN2
SCHEMBL6618410 0.83 MAPT (0.44) CRACR2AHTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6618968 0.83 CRACR2A (0.42) CRACR2AHTTRAB9ANPC1SMN1; SMN2
SCHEMBL6617389 0.82 ROCK2 (0.40) CRACR2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6606393 0.82 NPSR1 (0.47) MEN1KMT2A
SCHEMBL6615008 0.82 SMN1; SMN2 (0.47) CRACR2AHTTRAB9ANPC1SMN1; SMN2

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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