SCHEMBL4589926

SCHEMBL4589926

CC(C)(N)CNC(=O)CN1CCN(CCCCCOc2ccc3c(c2)ncn3-c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.49
SRC P12931 5/20 0.49
NTRK1 P04629 1/20 0.43
FLT3 P36888 1/20 0.43
KCNA5 P22460 3/20 0.41
HRH3 Q9Y5N1 9/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 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
SCHEMBL4589930 0.88 FGFR1 (0.49) FGFR1SRCNTRK1FLT3KCNA5
SCHEMBL4590224 0.87 KCNA5 (0.40) KCNA5HRH3DRD2DRD4
SCHEMBL4590553 0.87 KCNA5 (0.41) KCNA5HRH3DRD2DRD4
SCHEMBL4589924 0.86 FGFR1 (0.50) FGFR1SRCNTRK1FLT3KCNA5
SCHEMBL4590580 0.85 FGFR1 (0.51) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4590150 0.83 FGFR1 (0.54) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4588827 0.83 FGFR1 (0.41) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4588830 0.81 FGFR1 (0.43) FGFR1SRCNTRK1FLT3KCNA5
SCHEMBL4588823 0.81 FGFR1 (0.45) FGFR1SRCNTRK1FLT3KCNA5
SCHEMBL4590536 0.80 FGFR1 (0.46) FGFR1SRCNTRK1FLT3HRH3

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
WO-2008107322-A1 INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE DERIVATIVES INCLUDING A PIPERIDINE OR PIPERAZINE CORE AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO claimed