SCHEMBL25880624

SCHEMBL25880624

CNCc1ccc(Nc2ncc3ccc(-c4cn[nH]c4)cc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 11/20 0.61
JUN P05412 2/20 0.56
MAPK10 P53779 2/20 0.56
MAPK8 P45983 1/20 0.52
MAP3K5 Q99683 2/20 0.50
USP30 Q70CQ3 1/20 0.47
BRAF P15056 3/20 0.46
MAP4K3 Q8IVH8 1/20 0.41
ALK Q9UM73 1/20 0.41

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
SCHEMBL30512124 1.00 MAP4K1 (0.61) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL30512106 0.91 MAP3K5 (0.61) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL25880788 0.91 MAP3K5 (0.61) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL30512125 0.81 MAP4K1 (0.59) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL1632143 0.78 MAP4K1 (0.58) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL30512127 0.76 MAP3K5 (0.53) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL25881300 0.76 MAP3K5 (0.53) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL29576142 0.75 MAP3K5 (0.59) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL30512131 0.74 MAP3K5 (0.61) MAP4K1JUNMAPK10MAPK8MAP3K5
SCHEMBL25882777 0.74 MAP3K5 (0.61) MAP4K1JUNMAPK10MAPK8MAP3K5

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-2023138412-A1 FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS INSILICO MEDICINE IP LIMITED (CN) 2023-07-27 WO disclosed