SCHEMBL31329947

SCHEMBL31329947

Cc1cc(Br)c(Cl)nc1N=CNO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.39
CYP2D6 P10635 4/20 0.39
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP4Z1 Q86W10 1/20 0.32
CYP4F11 Q9HBI6 1/20 0.32
CYP4F12 Q9HCS2 1/20 0.32

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
SCHEMBL31330161 0.84 ALDH1A1 (0.35) CYP2C9CYP2D6CYP3A4
SCHEMBL31330114 0.77 CYP3A4 (0.31) CYP2C9CYP2D6CYP3A4
SCHEMBL31329939 0.76 KMT2A (0.38) GAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL17430753 0.75 CYP2C9 (0.44) CYP2C9CYP2D6GAASMN1; SMN2CYP3A4
SCHEMBL31330030 0.74 CYP2C9 (0.37) CYP2C9CYP2D6
SCHEMBL30720585 0.72 CYP2C9 (0.36) CYP2C9CYP2D6GAASMN1; SMN2CYP3A4
SCHEMBL28996370 0.70 XDH (0.38) CYP2C9CYP2D6GAASMN1; SMN2CYP4Z1
SCHEMBL31329821 0.69 CYP2C9 (0.35) CYP2C9CYP2D6CYP3A4
SCHEMBL29756186 0.69 CYP2C9 (0.46) CYP2C9CYP2D6GAASMN1; SMN2CYP3A4
SCHEMBL28852779 0.69 CYP2C9 (0.35) CYP2C9CYP2D6GAACYP3A4

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