SCHEMBL3961623

SCHEMBL3961623

CN1CCN(CCCNc2ncc(Cl)c(-c3cc4ccc(N)cc4s3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 15/20 0.50
SRC P12931 6/20 0.45
EGFR P00533 4/20 0.45
FGFR2 P21802 2/20 0.45
FGFR4 P22455 2/20 0.45
FGFR3 P22607 2/20 0.45
KDR P35968 2/20 0.42
CDK1 P06493 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 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
SCHEMBL3970084 0.90 FGFR1 (0.45) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3963469 0.89 FGFR1 (0.47) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3963789 0.89 FGFR1 (0.46) FGFR1SRCEGFRFGFR2FGFR4
Hydrochloric Acid SCHEMBL3961906 0.89 FGFR1 (0.46) FGFR1SRCEGFRFGFR2FGFR4
Hydrochloric Acid SCHEMBL4075209 0.88 FGFR1 (0.45) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3966578 0.88 FGFR1 (0.50) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3965707 0.88 FGFR1 (0.46) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3962095 0.87 FGFR1 (0.44) FGFR1SRCEGFRFGFR2FGFR4
Hydrochloric Acid SCHEMBL3961794 0.86 FGFR1 (0.49) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3958581 0.86 FGFR1 (0.47) 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