SCHEMBL18686156

SCHEMBL18686156

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ PRKCQ Q04759 3/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ ADORA2B P29275 2/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ ITGB5 P18084 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL18686168 0.94 CSNK2A1 (0.43) MPOCSNK2A1PRKCQADORA2BADORA2A
SCHEMBL2125445 0.94 PRKCQ (0.38) CSNK2A1PRKCQIDO1TDO2ADORA2B
SCHEMBL2124351 0.93 PRKCQ (0.39) CSNK2A1PRKCQADORA2BGRIN1GRIN2B
SCHEMBL2122787 0.91 PRKCQ (0.38) CSNK2A1PRKCQGRIN1GRIN2BROCK2
SCHEMBL2126773 0.90 PRKCQ (0.39) CSNK2A1PRKCQGRIN1GRIN2BROCK2
SCHEMBL2124161 0.90 PRKCQ (0.46) CSNK2A1PRKCQROCK2EGFRERBB2
SCHEMBL2123468 0.88 PRKCQ (0.42) CSNK2A1PRKCQGRIN1GRIN2BROCK2
SCHEMBL2125521 0.88 PRKCQ (0.42) CSNK2A1PRKCQADORA2BADORA2AEGFR
SCHEMBL2125564 0.88 PRKCQ (0.42) CSNK2A1PRKCQADORA2BADORA2AEGFR
SCHEMBL18686154 0.88 CSNK2A1 (0.39) CSNK2A1PRKCQIDO1TDO2GRIN1

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
Send feedback