SCHEMBL21602902

SCHEMBL21602902

COc1cc(C#Cc2cnc(SC)nc2C=O)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 5/20 0.38
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GRM5 P41594 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ FGFR2 P21802 2/20 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
SCHEMBL21602953 0.82 FGFR4 (0.40) FGFR4MEN1KMT2AKDM4EGRM5
SCHEMBL30450965 0.79 MEN1 (0.47) FGFR4MEN1KMT2AHTT
SCHEMBL20330658 0.79 MEN1 (0.47) FGFR4MEN1KMT2AHTT
SCHEMBL20330605 0.78 MEN1 (0.38) FGFR4L3MBTL1MEN1KMT2AHTT
SCHEMBL20330599 0.71 MEN1 (0.38) FGFR4MEN1KMT2AHTT
SCHEMBL20330632 0.70 ATM (0.38) FGFR4ATMTDP1L3MBTL1MEN1
SCHEMBL30045129 0.70 ATM (0.38) FGFR4ATMTDP1L3MBTL1MEN1
SCHEMBL21251874 0.69 FGFR4 (0.35) FGFR4MEN1KMT2AHTTFGFR2
SCHEMBL21314920 0.66 THRB (0.43) MEN1KMT2A
SCHEMBL674040 0.65 ALDH1A1 (0.65) ATMTDP1L3MBTL1MEN1KMT2A

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-2019242587-A1 HIGHLY SELECTIVE FGFR I INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2019-12-26 — — WO disclosed
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