SCHEMBL25880440

SCHEMBL25880440

CNC(=O)c1cc(Nc2ncc3cccnc3n2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
SYK P43405 6/20 0.41
RIPK1 Q13546 1/20 0.40
PLK1 P53350 1/20 0.39
BRAF P15056 3/20 0.39
NUDT1 P36639 1/20 0.38
CREBBP Q92793 1/20 0.38
AURKA O14965 2/20 0.38
CDK2 P24941 2/20 0.38
MAPK1 P28482 1/20 0.38
DOT1L Q8TEK3 1/20 0.37
NEK2 P51955 1/20 0.37
MAP3K5 Q99683 1/20 0.37
ULK1 O75385 1/20 0.37

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
SCHEMBL25880438 0.84 CCNC (0.41) CCNCCDK8SYKPLK1BRAF
SCHEMBL30512112 0.84 MAP3K5 (0.54) CCNCCDK8SYKBRAFAURKA
SCHEMBL25879550 0.84 MAP3K5 (0.54) CCNCCDK8SYKBRAFAURKA
SCHEMBL25880238 0.81 PKMYT1 (0.41) CCNCCDK8SYKCREBBPAURKA
SCHEMBL25880239 0.81 CCNC (0.48) CCNCCDK8BRAFCREBBPMAP3K5
SCHEMBL30512101 0.77 CDK7 (0.42) CCNCCDK8SYKPLK1BRAF
SCHEMBL25881879 0.77 CDK7 (0.42) CCNCCDK8SYKPLK1BRAF
SCHEMBL25881870 0.77 ALDH1A1 (0.41) CCNCCDK8BRAFCREBBPAURKA
SCHEMBL25879561 0.77 BRAF (0.45) CCNCCDK8BRAFAURKACDK2
SCHEMBL25881895 0.76 CREBBP (0.46) CCNCCDK8BRAFCREBBPMAP3K5

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