SCHEMBL3963552

SCHEMBL3963552

O=C(O)c1cccc2sc(-c3nc(NCCCN4CCNCC4)ncc3Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 19/20 0.42
EGFR P00533 4/20 0.40
FGFR2 P21802 3/20 0.40
FGFR4 P22455 3/20 0.40
FGFR3 P22607 3/20 0.40
SRC P12931 3/20 0.40
SIK2 Q9H0K1 1/20 0.39
STK26 Q9P289 1/20 0.39
STK24 Q9Y6E0 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39

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 SCHEMBL3958211 0.92 FGFR1 (0.44) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL3965486 0.92 FGFR1 (0.50) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3961916 0.91 FGFR1 (0.49) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3971656 0.91 FGFR1 (0.42) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL4084708 0.90 FGFR1 (0.39) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL3964537 0.90 FGFR1 (0.47) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL3961602 0.90 FGFR1 (0.42) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3969445 0.89 FGFR1 (0.42) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL4081024 0.86 CCND1 (0.38) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3965442 0.84 TYRO3 (0.42) 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