SCHEMBL20211319

SCHEMBL20211319

C[C@@H](c1cccs1)c1n[nH]c2ccc(C(N)=O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.42
▸ MAP2K4 P45985 3/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42
▸ MAPKAPK3 Q16644 1/20 0.42
▸ MAPK6 Q16659 1/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ ALOX5 P09917 1/20 0.39
▸ MAP3K5 Q99683 1/20 0.38
▸ TTK P33981 2/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ AR P10275 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ MAPK3 P27361 2/20 0.35
▸ HTR1B P28222 2/20 0.35

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
SCHEMBL30620040 0.72 MAP2K4 (0.46) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL30620072 0.70 MAP2K4 (0.44) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL14863426 0.70 MAPK1 (0.48) MAPK1JAK2JAK1MAPK3
SCHEMBL14863425 0.70 MAPK1 (0.48) MAPK1JAK2JAK1MAPK3
SCHEMBL23559721 0.70 MAP2K4 (0.58) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL14873241 0.68 MAPK1 (0.47) MAPK1TTKMAPK3
SCHEMBL4898881 0.67 MAP2K4 (0.50) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL14863667 0.67 MAP2K4 (0.51) CHEK2MAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL5377609 0.67 MAP2K4 (0.65) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL9987358 0.66 MAPK1 (0.66) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 — — EP disclosed
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