SCHEMBL17950335

SCHEMBL17950335

COC(=O)c1ccc2c(C)nc(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CSNK2A2 P19784 2/20 0.43
▸ CSNK2B P67870 2/20 0.43
▸ NAMPT P43490 4/20 0.43
▸ PDE4B Q07343 4/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ PDE4D Q08499 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17941882 0.89 CSNK2A1 (0.49) CSNK2A1KDM4EHSD17B10PABPC1CASP1
SCHEMBL17941964 0.83 NAMPT (0.46) CSNK2A1KDM4EHSD17B10PABPC1CASP1
SCHEMBL17941888 0.78 TNKS (0.51) CSNK2A1KDM4EHSD17B10PABPC1CASP1
SCHEMBL16446539 0.76 PDE4B (0.40) KDM4EHSD17B10PDE4BPDE4DMAPT
SCHEMBL15723560 0.75 DHFR (0.50) CSNK2A1KDM4EHSD17B10PABPC1CASP1
SCHEMBL17941957 0.74 CSNK2A2 (0.47) KDM4EHSD17B10CSNK2A2CSNK2BNAMPT
SCHEMBL29893824 0.71 CSNK2A1 (0.53) CSNK2A1KDM4EHSD17B10CSNK2A2CSNK2B
SCHEMBL20504366 0.71 TP53 (0.55) CSNK2A1KDM4EHSD17B10CSNK2A2CSNK2B
SCHEMBL25894686 0.71 CSNK2A1 (0.53) CSNK2A1KDM4EHSD17B10CSNK2A2CSNK2B
SCHEMBL29893311 0.71 KDM4E (0.44) CSNK2A1KDM4EHSD17B10CSNK2A2CSNK2B

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-2016118565-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-28 — — WO disclosed
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