SCHEMBL31361085

SCHEMBL31361085

Cn1cc(Nc2cc(Cl)nc(Cl)c2C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.46
CDC7 O00311 2/20 0.46
DAPK3 O43293 2/20 0.46
ROCK2 O75116 2/20 0.46
PRKD3 O94806 2/20 0.46
MAP4K4 O95819 2/20 0.46
PAK4 O96013 2/20 0.46
PIM1 P11309 2/20 0.46
PRKACA P17612 2/20 0.46
CDK2 P24941 2/20 0.46
SYK P43405 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CLK2 P49760 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
CDK7 P50613 2/20 0.46
CDK9 P50750 2/20 0.46
PRKX P51817 2/20 0.46
MAP4K2 Q12851 2/20 0.46
STK3 Q13188 2/20 0.46

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
SCHEMBL29127193 0.79 JAK2 (0.52) JAK2CDC7DAPK3ROCK2PRKD3
SCHEMBL31361069 0.76 CXCR2 (0.44) CDK2ALDH1A1HTT
SCHEMBL31361067 0.76 CXCR2 (0.44) CDK2ALDH1A1HTT
SCHEMBL10168708 0.76 CXCR2 (0.44) CDK2ALDH1A1HTT
SCHEMBL17069452 0.75 JAK2 (0.46) JAK2CDC7DAPK3ROCK2PRKD3
SCHEMBL31361062 0.72 POLB (0.38) JAK2MAP4K4SYKMAP4K2PKN2
SCHEMBL5026846 0.72 JAK3 (0.50) JAK2CDC7DAPK3ROCK2PRKD3
SCHEMBL17908134 0.70 CDK19 (0.46) JAK2CDC7DAPK3ROCK2PRKD3
SCHEMBL30544164 0.70 POLB (0.42) ROCK2TYK2
SCHEMBL28529103 0.70 POLB (0.42) ROCK2TYK2

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
CN-119176820-A Tricyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-12-24 CN disclosed