SCHEMBL6629335

SCHEMBL6629335

C=CCn1nc(-c2ccc(NC(=O)CC)cc2O)cc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ RAB9A P51151 5/20 0.40
▸ AAK1 Q2M2I8 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ MET P08581 1/20 0.38

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
SCHEMBL6612239 0.94 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6629779 0.92 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6620548 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6631790 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6628153 0.83 RAB9A (0.48) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6616193 0.83 KMT2A (0.41) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6615310 0.82 KDM5A (0.41) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6618249 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6617830 0.81 RAB9A (0.43) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6617913 0.80 KMT2A (0.36) ALDH1A1KDM4EHPGDHSD17B10RAB9A

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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