SCHEMBL27473072

SCHEMBL27473072

COCCN(C(=O)c1cc(C)c2ncn(-c3ccc(NC(=O)OC)nc3)c2c1)c1ccc(F)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 16/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ OXTR P30559 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ AVPR1B P47901 1/20 0.31

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
SCHEMBL30962550 1.00 TTK (0.35) TTKCYP1A2CYP2C9HPGDMAPK1
SCHEMBL27473097 0.93 TTK (0.35) TTKCYP1A2CYP2C9HPGDMAPK1
SCHEMBL30962496 0.93 TTK (0.35) TTKCYP1A2CYP2C9HPGDMAPK1
SCHEMBL30962535 0.91 TTK (0.33) TTKALDH1A1
SCHEMBL30962573 0.90 MLNR (0.35) TTKCYP1A2CYP2C9HPGDMAPK1
SCHEMBL27473036 0.89 TTK (0.33) TTK
SCHEMBL30962495 0.89 TTK (0.33) TTK
SCHEMBL30962548 0.88 GRIN2B (0.34) TTK
SCHEMBL27472791 0.88 GRIN2B (0.34) TTK
SCHEMBL27473122 0.87 TTK (0.35) TTKCYP1A2CYP2C9HPGDMAPK1

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-2024126407-A1 BENZIMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-20 — — WO disclosed
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