SCHEMBL31329797

SCHEMBL31329797

ON/C=N/c1nc(C2CC2)cc(Cl)c1I

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL31329793 0.78 KMT2A (0.36)
SCHEMBL31329987 0.77 CYP2C9 (0.39) CYP3A4CYP2D6CYP2C9
SCHEMBL31330152 0.67 KDM4E (0.38)
SCHEMBL31329976 0.67 CYP2C9 (0.38) CYP3A4CYP2D6CYP2C9
SCHEMBL31330114 0.67 CYP3A4 (0.31) CYP3A4CYP2D6CYP2C9
SCHEMBL14119964 0.61 PLAU (0.39) CYP3A4CYP2D6CYP2C9
SCHEMBL31330161 0.61 ALDH1A1 (0.35) CYP3A4CYP2D6CYP2C9
SCHEMBL25217569 0.58 HRH4 (0.38) CYP3A4
SCHEMBL23466112 0.58 ALDH1A1 (0.35) CYP3A4CYP2D6CYP2C9
SCHEMBL22553966 0.58 SGK1 (0.38)

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-2024249817-A1 TRICYCLIC PKMYT1 KINASE INHIBITORS ENLIVEN INC. (US) 2024-12-05 WO disclosed