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Sugi Predict / Compounds / SCHEMBL4590580

SCHEMBL4590580

SCHEMBL4590580

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 5/20 0.51
▸ SRC P12931 4/20 0.51
▸ NTRK1 P04629 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ AVPR1B P47901 6/20 0.45
▸ HRH3 Q9Y5N1 6/20 0.45
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL4590536 0.94 FGFR1 (0.46) FGFR1SRCNTRK1FLT3AVPR1B
SCHEMBL4590576 0.86 AVPR1B (0.45) AVPR1BHRH3MEN1KMT2A
SCHEMBL4590339 0.86 HRH3 (0.46) AVPR1BHRH3MEN1KMT2A
SCHEMBL4589930 0.85 FGFR1 (0.49) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4589924 0.85 FGFR1 (0.50) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4589926 0.85 FGFR1 (0.49) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4590150 0.85 FGFR1 (0.54) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4588823 0.84 FGFR1 (0.45) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4590540 0.83 FGFR1 (0.44) FGFR1SRCNTRK1FLT3HRH3
SCHEMBL4588830 0.82 FGFR1 (0.43) 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 disclosed