SCHEMBL21364892

SCHEMBL21364892

CCCCCCc1ccc(Nc2nccc(NCCCN)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 9/20 0.66
STK17B O94768 4/20 0.66
DNM2 P50570 2/20 0.50
HRH3 Q9Y5N1 2/20 0.47
CCNK O75909 1/20 0.47
CDK13 Q14004 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
TLR8 Q9NR97 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
HTR2A P28223 1/20 0.43
SYK P43405 1/20 0.43
KCNH3 Q9ULD8 2/20 0.43
POLA1 P09884 1/20 0.42

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
SCHEMBL22508313 0.87 STK17A (0.73) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL22508341 0.82 STK17A (0.76) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL20154728 0.79 STK17A (1.00) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL20154753 0.79 STK17A (1.00) STK17ASTK17B
SCHEMBL20154840 0.79 STK17A (1.00) STK17ASTK17B
SCHEMBL22490561 0.79 STK17A (0.76) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL19477222 0.79 TLR8 (0.63) STK17ADNM2HRH3CCNKCDK13
SCHEMBL19476564 0.79 TLR8 (0.63) STK17ADNM2HRH3CCNKCDK13
SCHEMBL22508340 0.79 STK17A (0.75) STK17ASTK17BHRH3CCNKCDK13
SCHEMBL20154746 0.78 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-A1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES Korea Research Institute of Chemical Technology (KR) 2019-09-18 EP disclosed