SCHEMBL3966593

SCHEMBL3966593

CN1CCN(CCCNc2ncc(Cl)c(-c3cc4ccc(CNC(=O)C(F)(F)F)cc4s3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 20/20 0.46
EGFR P00533 3/20 0.46
FGFR2 P21802 3/20 0.46
FGFR4 P22455 3/20 0.46
FGFR3 P22607 3/20 0.46
SRC P12931 2/20 0.42
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL3965763 0.90 FGFR1 (0.54) FGFR1EGFRFGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL4071955 0.90 FGFR1 (0.48) FGFR1EGFRFGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL3965439 0.90 FGFR1 (0.48) FGFR1EGFRFGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL3964522 0.90 FGFR1 (0.47) FGFR1EGFRFGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL3964521 0.88 FGFR1 (0.42) FGFR1EGFRFGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL3970205 0.88 FGFR1 (0.47) FGFR1EGFRFGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL3965344 0.88 FGFR1 (0.45) FGFR1EGFRFGFR2FGFR4FGFR3
Trifluoroacetic Acid SCHEMBL3966818 0.87 FGFR1 (0.50) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL3963469 0.84 FGFR1 (0.47) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL4082979 0.84 FGFR1 (0.43) FGFR1EGFRFGFR2FGFR4FGFR3

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
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed