SCHEMBL6617639

SCHEMBL6617639

CCCNC(=O)n1nc(-c2ccc(NC(=O)CC)cc2O)cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPK14 Q16539 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ MET P08581 1/20 0.39

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
SCHEMBL6616869 0.92 ALDH1A1 (0.43) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6618882 0.91 ALDH1A1 (0.40) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6614766 0.87 ALDH1A1 (0.41) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6615076 0.87 RAB9A (0.39) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6622965 0.87 AAK1 (0.38) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6617929 0.87 AAK1 (0.38) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6615512 0.86 ALDH1A1 (0.43) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6613489 0.85 MAPK14 (0.39) RAB9AALDH1A1KDM4EHPGDMAPK14
SCHEMBL6617319 0.85 RAB9A (0.40) RAB9AKDM4ESMN1; SMN2NPC1MAPT
SCHEMBL6619722 0.85 KMT2A (0.38) RAB9AALDH1A1KDM4EHPGDHSD17B10

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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