SCHEMBL18686166

SCHEMBL18686166

COc1cc(-c2[nH]c3c(C#N)cnn3c2Nc2cccc(C(=O)O)c2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.45
▸ EGFR P00533 2/20 0.41
▸ ERBB2 P04626 2/20 0.41
▸ GSK3B P49841 2/20 0.40
▸ CDC25B P30305 1/20 0.39
▸ PTK2 Q05397 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLK Q9H2G2 2/20 0.38
▸ SYK P43405 2/20 0.38
▸ MET P08581 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ STK10 O94804 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 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
SCHEMBL18686158 0.95 CSNK2A1 (0.42) CSNK2A1EGFRERBB2GSK3BCDC25B
SCHEMBL2124547 0.93 MAPT (0.42) CSNK2A1EGFRERBB2PTK2ALDH1A1
SCHEMBL18686178 0.92 CSNK2A1 (0.44) CSNK2A1EGFRERBB2GSK3BCDC25B
SCHEMBL2123140 0.89 MAPT (0.40) CSNK2A1EGFRERBB2PTK2ALDH1A1
SCHEMBL2127338 0.88 EGFR (0.49) CSNK2A1EGFRERBB2ALDH1A1
SCHEMBL15266840 0.87 CSNK2A1 (0.40) CSNK2A1EGFRERBB2GSK3BCDC25B
SCHEMBL2125931 0.87 CDK1 (0.43) CSNK2A1ALDH1A1MAPTSLKKDR
SCHEMBL18686163 0.86 NPC1 (0.37) CSNK2A1PTK2MAPTSMN1; SMN2MET
SCHEMBL2124067 0.85 MAPT (0.44) CSNK2A1EGFRERBB2ALDH1A1MAPT
SCHEMBL2124727 0.84 SRC (0.44) CSNK2A1EGFRPTK2ADORA1

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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