SCHEMBL3961541

SCHEMBL3961541

Cc1cnc(NCCCN2CCN(C)CC2)nc1-c1cc2ccc(CNS(C)(=O)=O)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 13/20 0.39
EGFR P00533 4/20 0.38
SRC P12931 4/20 0.38
FGFR2 P21802 3/20 0.38
FGFR4 P22455 3/20 0.38
FGFR3 P22607 3/20 0.38
NMT1 P30419 1/20 0.37
MAPK8 P45983 1/20 0.36
AXL P30530 2/20 0.36

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
Hydrochloric Acid SCHEMBL4082979 0.91 FGFR1 (0.43) FGFR1EGFRSRCFGFR2FGFR4
Hydrochloric Acid SCHEMBL3967077 0.86 BRD4 (0.41) FGFR1EGFRSRCFGFR2FGFR4
Trifluoroacetic Acid SCHEMBL3964521 0.85 FGFR1 (0.42) FGFR1EGFRSRCFGFR2FGFR4
Hydrochloric Acid SCHEMBL3964587 0.85 JAK2 (0.41) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3970084 0.83 FGFR1 (0.45) FGFR1EGFRSRCFGFR2FGFR4
Hydrochloric Acid SCHEMBL3962134 0.82 FGFR1 (0.40) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3963837 0.82 FGFR1 (0.44) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3965368 0.82 FGFR1 (0.42) FGFR1EGFRSRCFGFR2FGFR4
Hydrochloric Acid SCHEMBL3958563 0.81 FGFR1 (0.42) FGFR1EGFRSRCFGFR2FGFR4
Hydrochloric Acid SCHEMBL3963641 0.80 FGFR1 (0.45) FGFR1EGFRSRCFGFR2FGFR4

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