SCHEMBL22306016

SCHEMBL22306016

C=C(CNC(=O)c1ccn(S(C)(=O)=O)c1)Nc1cccc(-c2cccc(-c3ccncc3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 2/20 0.43
▸ SMARCA4 P51532 2/20 0.43
▸ AURKA O14965 3/20 0.38
▸ KLKB1 P03952 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ BLM P54132 1/20 0.35
▸ ROCK2 O75116 3/20 0.35
▸ WDR5 P61964 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ ROCK1 Q13464 2/20 0.33
▸ MAP3K5 Q99683 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PRKX P51817 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ CSNK1D P48730 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
SCHEMBL22290407 0.91 SMARCA2 (0.44) SMARCA2SMARCA4AURKAKLKB1CYP3A4
SCHEMBL22290930 0.80 SMARCA2 (0.58) SMARCA2SMARCA4CYP3A4CYP2C9ROCK2
SCHEMBL22306187 0.79 AURKA (0.41) AURKACYP3A4CYP2C9BLMROCK2
SCHEMBL31368278 0.76 SMARCA2 (0.42) SMARCA2SMARCA4AURKAKLKB1CYP3A4
SCHEMBL22290613 0.73 SMARCA2 (0.48) SMARCA2SMARCA4KLKB1CYP3A4CYP2C9
SCHEMBL22290676 0.72 SMARCA2 (0.53) SMARCA2SMARCA4CYP3A4CYP2C9ROCK2
SCHEMBL22290758 0.72 SMARCA2 (0.69) SMARCA2SMARCA4CYP3A4CYP2C9ROCK2
SCHEMBL22290720 0.71 SMARCA2 (0.64) SMARCA2SMARCA4CYP3A4CYP2C9ROCK2
SCHEMBL22290717 0.71 SMARCA2 (0.64) SMARCA2SMARCA4CYP3A4CYP2C9ROCK2
SCHEMBL25498927 0.71 AURKA (0.41) AURKAROCK2GRM5ROCK1MAP3K5

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
WO-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
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