SCHEMBL28912614

SCHEMBL28912614

C=CC(=O)Nc1cccc(OC(C)C)c1Nc1ncc(OCc2c(Cl)c(OC)cc(OC)c2Cl)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 20/20 1.00
▸ FGFR1 P11362 6/20 0.80
▸ FGFR2 P21802 2/20 0.79
▸ FGFR3 P22607 2/20 0.79
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65

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
SCHEMBL20094096 0.94 FGFR4 (1.00) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL28554912 0.91 FGFR4 (1.00) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL20094042 0.90 FGFR4 (1.00) FGFR4FGFR1FGFR2FGFR3
SCHEMBL18131723 0.89 FGFR4 (1.00) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL28911971 0.88 FGFR4 (1.00) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL20094112 0.88 FGFR4 (1.00) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL28566310 0.88 FGFR4 (1.00) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL20094043 0.86 FGFR4 (1.00) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL20094103 0.84 FGFR4 (0.78) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL20094099 0.84 FGFR4 (0.82) FGFR4FGFR1FGFR2FGFR3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108503593-B 2-aminopyrimidine compounds and application thereof 暨南大学 2021-04-27 — — CN claimed
CN-108503593-B 2-aminopyrimidine compounds and application thereof 暨南大学 2021-04-27 — — CN disclosed
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