SCHEMBL18686168

SCHEMBL18686168

COc1ccc(Nc2c(-c3ccc(OCC(=O)O)c(OC)c3)[nH]c3c(C#N)cnn23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.43
▸ PRKCQ Q04759 9/20 0.42
▸ MPO P05164 1/20 0.42
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ITGB3 P05106 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
SCHEMBL18686156 0.94 MPO (0.39) CSNK2A1PRKCQMPOEGFRERBB2
SCHEMBL2125521 0.93 PRKCQ (0.42) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL2125564 0.93 PRKCQ (0.42) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL18686170 0.93 CSNK2A1 (0.42) CSNK2A1PRKCQMPOEGFRERBB2
SCHEMBL2122009 0.92 PRKCQ (0.42) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL2124351 0.89 PRKCQ (0.39) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL2124008 0.89 PRKCQ (0.44) CSNK2A1PRKCQEGFRERBB2SRC
SCHEMBL2123272 0.88 MAPT (0.41) CSNK2A1PRKCQMPOEGFRERBB2
SCHEMBL2123878 0.88 ALDH1A1 (0.45) CSNK2A1PRKCQADORA2BADORA2AHPGD
SCHEMBL2125445 0.88 PRKCQ (0.38) 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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