SCHEMBL31069360

SCHEMBL31069360

NCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c3ccc(F)cc31)n2CCCC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
CCR3 P51677 1/20 0.41

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
SCHEMBL31069373 0.91 CYP3A4 (0.47) CYP3A4
SCHEMBL31069370 0.89 CYP3A4 (0.39) CYP3A4
SCHEMBL31069309 0.88 CYP3A4 (0.58) CYP3A4
SCHEMBL31069359 0.88 CYP3A4 (0.44) CYP3A4
SCHEMBL31069458 0.88 CYP3A4 (0.47) CYP3A4CCR3
SCHEMBL31069354 0.88 CYP3A4 (0.42) CYP3A4
SCHEMBL31069290 0.87
SCHEMBL31069251 0.87 CYP3A4 (0.37) CYP3A4
SCHEMBL31069283 0.87 CYP3A4 (0.42) CYP3A4
SCHEMBL31069272 0.86 CYP3A4 (0.41) CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO claimed
WO-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO disclosed