SCHEMBL22508313

SCHEMBL22508313

CCc1ccc(Nc2nccc(NCCCN)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 14/20 0.73
STK17B O94768 7/20 0.62
HRH3 Q9Y5N1 2/20 0.52
CCNK O75909 1/20 0.51
CDK13 Q14004 1/20 0.51
CDK12 Q9NYV4 1/20 0.51
HRH4 Q9H3N8 1/20 0.48
SYK P43405 1/20 0.48
TLR8 Q9NR97 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL21364892 0.87 STK17A (0.66) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL22508341 0.87 STK17A (0.76) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL20154728 0.84 STK17A (1.00) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL22490561 0.84 STK17A (0.76) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL22508340 0.84 STK17A (0.75) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL21365160 0.81 STK17A (0.67) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL21364894 0.79 STK17A (0.64) STK17ACCNKCDK13CDK12SYK
SCHEMBL19476564 0.78 TLR8 (0.63) STK17AHRH3CCNKCDK13CDK12
SCHEMBL19477222 0.78 TLR8 (0.63) STK17AHRH3CCNKCDK13CDK12
SCHEMBL20154734 0.77 STK17A (1.00) STK17ASTK17B

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
EP-3539951-B1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES KOREA RES INST CHEMICAL TECH (KR) 2020-10-07 EP disclosed