SCHEMBL18686178

SCHEMBL18686178

COc1ccc(-c2[nH]c3c(C#N)cnn3c2Nc2cccc(C(=O)O)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.44
▸ EGFR P00533 2/20 0.43
▸ ERBB2 P04626 2/20 0.43
▸ PRKCQ Q04759 5/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ CDC25B P30305 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ SYK P43405 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ ABCB1 P08183 1/20 0.37

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
SCHEMBL2124067 0.93 MAPT (0.44) CSNK2A1EGFRERBB2PRKCQMAPT
SCHEMBL18686166 0.92 CSNK2A1 (0.45) CSNK2A1EGFRERBB2GSK3BCDC25B
SCHEMBL15266840 0.92 CSNK2A1 (0.40) CSNK2A1EGFRERBB2PRKCQGSK3B
SCHEMBL2123139 0.88 EGFR (0.50) CSNK2A1EGFRERBB2ALDH1A1
SCHEMBL18686158 0.88 CSNK2A1 (0.42) CSNK2A1EGFRERBB2GSK3BCDC25B
SCHEMBL2123272 0.88 MAPT (0.41) CSNK2A1EGFRERBB2PRKCQMAPT
SCHEMBL2124193 0.86 MAPT (0.41) CSNK2A1EGFRERBB2PRKCQCDC25B
SCHEMBL2124547 0.85 MAPT (0.42) CSNK2A1EGFRERBB2MAPTALDH1A1
SCHEMBL18686168 0.84 CSNK2A1 (0.43) CSNK2A1EGFRERBB2PRKCQ
SCHEMBL18686155 0.84 CSNK2A1 (0.43) CSNK2A1EGFRERBB2PRKCQXDH

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-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 — — EP claimed
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