SCHEMBL31330161

SCHEMBL31330161

ON/C=N\c1nc(Cl)c(Br)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL31329947 0.84 CYP2C9 (0.39) CYP2C9CYP2D6CYP3A4
SCHEMBL31330114 0.79 CYP3A4 (0.31) CYP2C9CYP2D6CYP3A4
SCHEMBL31329942 0.73 KMT2A (0.41) ALDH1A1MAPK1
SCHEMBL24387226 0.73 PLAU (0.54) ALDH1A1MAPK1CYP2C9CYP2D6CYP3A4
SCHEMBL29749760 0.73 PLAU (0.54) ALDH1A1MAPK1CYP2C9CYP2D6CYP3A4
SCHEMBL29414008 0.71 CYP2C9 (0.35) CYP2C9CYP2D6CYP3A4
SCHEMBL28852779 0.71 CYP2C9 (0.35) CYP2C9CYP2D6CYP3A4
SCHEMBL31329821 0.71 CYP2C9 (0.35) CYP2C9CYP2D6CYP3A4
SCHEMBL14927124 0.70 PLAU (0.54) ALDH1A1MAPK1CYP2C9CYP2D6CYP3A4
SCHEMBL14917059 0.70 PLAU (0.54) ALDH1A1MAPK1CYP2C9CYP2D6CYP3A4

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