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SCHEMBL4588823

SCHEMBL4588823

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 8/20 0.45
▸ SRC P12931 7/20 0.45
▸ NEK2 P51955 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ NTRK1 P04629 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ ATM Q13315 4/20 0.38
▸ KCNA5 P22460 2/20 0.37
▸ HRH3 Q9Y5N1 3/20 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
SCHEMBL4589924 0.94 FGFR1 (0.50) FGFR1SRCNEK2PLK1NTRK1
SCHEMBL4590536 0.90 FGFR1 (0.46) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4588830 0.86 FGFR1 (0.43) FGFR1SRCNEK2PLK1NTRK1
SCHEMBL4590150 0.84 FGFR1 (0.54) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4590580 0.84 FGFR1 (0.51) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4590221 0.82 KCNA5 (0.40) KCNA5HRH3
SCHEMBL4590050 0.82 FGFR1 (0.60) FGFR1SRCHRH3
SCHEMBL4590546 0.82 KCNA5 (0.41) KCNA5HRH3
SCHEMBL4589926 0.81 FGFR1 (0.49) FGFR1SRCNTRK1FLT3KCNA5
SCHEMBL4590727 0.79 HRH3 (0.42) HRH3

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 disclosed