SCHEMBL18686159

SCHEMBL18686159

COc1ccc(Nc2c(-c3ccc(OC(C)C(=O)O)cc3)[nH]c3c(C#N)cnn23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.42
▸ PRKCQ Q04759 9/20 0.39
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ SLC22A12 Q96S37 2/20 0.35
▸ PRKCH P24723 1/20 0.34
▸ PRKCE Q02156 1/20 0.34
▸ PRKCD Q05655 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34

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
SCHEMBL18686155 0.94 CSNK2A1 (0.43) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL18686154 0.88 CSNK2A1 (0.39) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL18686170 0.86 CSNK2A1 (0.42) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL2123521 0.85 PRKCQ (0.52) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL2126389 0.85 ALDH1A1 (0.47) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL2122304 0.85 CSNK2A1 (0.43) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL2127386 0.85 CSNK2A1 (0.41) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL18686168 0.82 CSNK2A1 (0.43) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL2124583 0.81 CSNK2A1 (0.43) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL2123111 0.81 CSNK2A1 (0.47) CSNK2A1PRKCQEGFRERBB2SRC

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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