SCHEMBL31095293

SCHEMBL31095293

Nc1cn(-c2ccc(OC(F)(F)F)c(Cl)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.38
NOTUM Q6P988 2/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC1A5 Q15758 2/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GRIN2B Q13224 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN3A Q9NY46 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
SCHEMBL25192812 1.00 KMO (0.38) KMONOTUMMAPTMAPK1RECQL
SCHEMBL22185266 0.85 PDE2A (0.38) NOTUMPPARDPPARA
SCHEMBL20589858 0.84 MBOAT4 (0.38) NOTUM
SCHEMBL22185264 0.84 SCN5A (0.40) MAPTMAPK1PPARGPPARDPPARA
SCHEMBL4426063 0.81 NOTUM (0.51) KMONOTUMSLC1A5PPARGPPARD
SCHEMBL4425998 0.80 KMO (0.53) KMONOTUM
SCHEMBL31095268 0.79 HTR2A (0.43) KMONOTUMMAPTMAPK1L3MBTL1
SCHEMBL25194605 0.79 HTR2A (0.43) KMONOTUMMAPTMAPK1L3MBTL1
SCHEMBL20588626 0.77 SCN5A (0.40) MAPTMAPK1RECQLL3MBTL1GRIN2B
SCHEMBL25195272 0.76 DHFR (0.46) GRIN2B

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
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed