SCHEMBL3966411

SCHEMBL3966411

Cc1cnc(NCCCN2CCN[C@@H](C)C2)nc1-c1cc2c(C(=O)NC3CC3)cccc2s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 13/20 0.39
MERTK Q12866 13/20 0.39
FLT3 P36888 12/20 0.39
GAS6 Q14393 10/20 0.39
AXL P30530 5/20 0.37
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
DRD4 P21917 2/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL3963760 0.93 ICAM1 (0.36) TYRO3MERTKFLT3GAS6EGFR
SCHEMBL3963752 0.93 ICAM1 (0.36) TYRO3MERTKFLT3GAS6EGFR
SCHEMBL3964622 0.92 FGFR1 (0.40) TYRO3MERTKFLT3GAS6AXL
Hydrochloric Acid SCHEMBL3965328 0.89 FLT3 (0.38) TYRO3MERTKFLT3GAS6AXL
SCHEMBL3964769 0.89 FGFR1 (0.45) TYRO3MERTKFLT3GAS6AXL
Hydrochloric Acid SCHEMBL3965367 0.88 FGFR1 (0.45) TYRO3MERTKFLT3GAS6AXL
Hydrochloric Acid SCHEMBL3958567 0.88 FGFR1 (0.45) TYRO3MERTKFLT3GAS6AXL
SCHEMBL3964338 0.88 TYRO3 (0.43) TYRO3MERTKFLT3GAS6AXL
SCHEMBL13768446 0.87 FLT3 (0.41) TYRO3MERTKFLT3GAS6AXL
Hydrochloric Acid SCHEMBL3969434 0.87 FLT3 (0.40) TYRO3MERTKFLT3GAS6AXL

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