SCHEMBL3963837

SCHEMBL3963837

Cc1cnc(NCCCN2CCN(C)CC2)nc1-c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 14/20 0.44
SRC P12931 5/20 0.44
EGFR P00533 3/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.41
KDR P35968 2/20 0.41
MAPK8 P45983 1/20 0.40

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
SCHEMBL3965330 0.93 SLC2A1 (0.43) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3971053 0.93 SLC2A1 (0.43) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3971739 0.91 VCP (0.46) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3969374 0.90 LCK (0.41) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3966578 0.89 FGFR1 (0.50) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3964127 0.89 FGFR1 (0.44) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3970084 0.88 FGFR1 (0.45) FGFR1SRCEGFRFGFR2FGFR4
Hydrochloric Acid SCHEMBL3962134 0.87 FGFR1 (0.40) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3965934 0.86 FGFR1 (0.43) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3970200 0.85 FGFR1 (0.44) FGFR1SRCEGFRFGFR2FGFR4

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