SCHEMBL20331792

SCHEMBL20331792

COc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(N3CC4(CCOCC4)C3)n2)c1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 12/20 0.41
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ PDE4B Q07343 3/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ PDE11A Q9HCR9 2/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDCD1LG2 Q9BQ51 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL21240062 0.95 TTK (0.41) TTKCCNA2CDK2FGFR1FGFR4
SCHEMBL29577811 0.95 TTK (0.41) TTKCCNA2CDK2FGFR1FGFR4
SCHEMBL20331482 0.91 TTK (0.46) TTKFGFR1FGFR4
SCHEMBL20331788 0.90 TTK (0.41) TTKCCNA2CDK2FGFR1FGFR4
SCHEMBL29577387 0.90 TTK (0.41) TTKCCNA2CDK2FGFR1FGFR4
SCHEMBL21252146 0.88 TTK (0.37) TTKCCNA2CDK2FGFR1FGFR4
SCHEMBL21240298 0.87 TTK (0.33) TTKFGFR1FGFR4
SCHEMBL20331797 0.87 TTK (0.33) TTKFGFR1FGFR4
SCHEMBL29577477 0.87 TTK (0.33) TTKFGFR1FGFR4
SCHEMBL30045374 0.87 TTK (0.33) TTKFGFR1FGFR4

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-2018113584-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2018-06-28 — — WO disclosed
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