SCHEMBL20331075

SCHEMBL20331075

CN/C(=C\c1cnc(SC)nc1C=O)c1c(F)c(OC)cc(OC)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE4B Q07343 5/20 0.33
▸ HPGDS O60760 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL24488175 0.89 MEN1 (0.35) MEN1KMT2APDE4BMAPTKDM4E
SCHEMBL21251963 0.86 PDE4B (0.35) MEN1KMT2APDE4BMAPTKDM4E
SCHEMBL21251874 0.79 FGFR4 (0.35) MEN1KMT2APDE4BHPGDSMAPT
SCHEMBL20331456 0.75 MEN1 (0.41) MEN1KMT2APDE4BMAPTKDM4E
SCHEMBL24488264 0.73 P2RX3 (0.36) KDM4E
SCHEMBL20330599 0.72 MEN1 (0.38) MEN1KMT2APDE4BMAPT
SCHEMBL24488280 0.72 FGFR1 (0.33) MEN1KMT2A
SCHEMBL21252130 0.68 THRB (0.36) MEN1KMT2AHPGDSMAPT
SCHEMBL18981723 0.63 MEN1 (0.39) MEN1KMT2AMAPT
SCHEMBL21251961 0.63 NFE2L2 (0.33) PDE4B

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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