SCHEMBL18686154

SCHEMBL18686154

COc1cc(Nc2c(-c3ccc(OC(C)C(=O)O)c(OC)c3)[nH]c3c(C#N)cnn23)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.39
▸ PRKCQ Q04759 10/20 0.38
▸ ROCK2 O75116 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ EGFR P00533 2/20 0.33
▸ ERBB2 P04626 2/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33

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) CSNK2A1PRKCQEGFRERBB2PRKCH
SCHEMBL2124161 0.90 PRKCQ (0.46) CSNK2A1PRKCQROCK2EGFRERBB2
SCHEMBL18686159 0.88 CSNK2A1 (0.42) CSNK2A1PRKCQEGFRERBB2PRKCH
SCHEMBL18686156 0.88 MPO (0.39) CSNK2A1PRKCQROCK2IDO1TDO2
SCHEMBL2125445 0.86 PRKCQ (0.38) CSNK2A1PRKCQROCK2IDO1TDO2
SCHEMBL2124351 0.85 PRKCQ (0.39) CSNK2A1PRKCQROCK2EGFRERBB2
SCHEMBL2126773 0.85 PRKCQ (0.39) CSNK2A1PRKCQROCK2EGFRERBB2
SCHEMBL2122787 0.85 PRKCQ (0.38) CSNK2A1PRKCQROCK2EGFRERBB2
SCHEMBL2125701 0.84 CSNK2A1 (0.44) CSNK2A1PRKCQEGFRERBB2PRKCH
SCHEMBL2122015 0.84 CSNK2A1 (0.40) CSNK2A1PRKCQROCK2EGFRERBB2

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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