SCHEMBL21408448

SCHEMBL21408448

C=CC(=O)Nc1cc(OC)ccc1C(=O)Nc1cc(CCc2cc(OC)cc(OC)c2)[nH]n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 12/20 0.83
FGFR2 P21802 7/20 0.83
FGFR1 P11362 3/20 0.83
FGFR3 P22607 1/20 0.83
NTRK1 P04629 1/20 0.51
RET P07949 1/20 0.51
PDGFRB P09619 1/20 0.51
MARK3 P27448 1/20 0.51
TNK2 Q07912 1/20 0.51
DDR1 Q08345 1/20 0.51
MAP4K2 Q12851 1/20 0.51
MAP3K11 Q16584 1/20 0.51
DDR2 Q16832 1/20 0.51
MARK2 Q7KZI7 1/20 0.51
MAP4K3 Q8IVH8 1/20 0.51
MAP4K1 Q92918 1/20 0.51
AURKB Q96GD4 1/20 0.51
EIF2AK1 Q9BQI3 1/20 0.51
MAP3K20 Q9NYL2 1/20 0.51
STK26 Q9P289 1/20 0.51

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
SCHEMBL21416263 0.94 FGFR4 (0.84) FGFR4FGFR2FGFR1FGFR3NTRK1
SCHEMBL29941049 0.93 FGFR2 (0.75) FGFR4FGFR2FGFR1FGFR3NTRK1
SCHEMBL21430739 0.93 FGFR2 (0.75) FGFR4FGFR2FGFR1FGFR3NTRK1
SCHEMBL21430886 0.91 FGFR4 (1.00) FGFR4FGFR2FGFR1FGFR3NTRK1
SCHEMBL21430878 0.90 FGFR4 (0.71) FGFR4FGFR2FGFR1FGFR3NTRK1
SCHEMBL28500404 0.89 FGFR4 (0.74) FGFR4FGFR2FGFR1FGFR3NTRK1
SCHEMBL21430885 0.88 FGFR4 (0.73) FGFR4FGFR2FGFR1FGFR3NTRK1
Morpholine SCHEMBL28492598 0.87 FGFR2 (0.67) FGFR4FGFR2FGFR1FGFR3NTRK1
SCHEMBL21430912 0.87 FGFR4 (0.72) FGFR4FGFR2FGFR1FGFR3NTRK1
SCHEMBL21430887 0.86 FGFR4 (0.71) FGFR4FGFR2FGFR1FGFR3NTRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936470-B Amidopyrazoles useful as irreversible FGFR inhibitors 上海奕拓医药科技有限责任公司 2022-10-21 CN disclosed
CN-110317173-B Amidopyrazoles useful as irreversible FGFR inhibitors 上海奕拓医药科技有限责任公司 2022-10-11 CN disclosed
CN-111936470-A Amidopyrazoles useful as FGFR irreversible inhibitors 中国科学院上海有机化学研究所 2020-11-13 CN disclosed
WO-2019185033-A1 AMIDE PYRAZOLE COMPOUND USED AS FGFR IRREVERSIBLE INHIBITOR 中国科学院上海有机化学研究所 2019-10-03 WO disclosed
WO-2019185033-A1 AMIDE PYRAZOLE COMPOUND USED AS FGFR IRREVERSIBLE INHIBITOR 中国科学院上海有机化学研究所 2019-10-03 WO disclosed