SCHEMBL23045876

SCHEMBL23045876

CC(=O)Nc1ccc(C)c(N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)c1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 0.80
MAP4K2 Q12851 16/20 0.80
ABL1 P00519 2/20 0.73
BMX P51813 2/20 0.73
BCR P11274 1/20 0.73
RIPK1 Q13546 1/20 0.73
RIPK3 Q9Y572 1/20 0.73
LCK P06239 3/20 0.64

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
SCHEMBL19922745 0.90 TNK2 (0.84) TNK2MAP4K2ABL1BMXBCR
SCHEMBL23059372 0.89 TNK2 (0.79) TNK2MAP4K2ABL1BMXBCR
SCHEMBL19922743 0.88 TNK2 (0.73) TNK2MAP4K2ABL1BMXBCR
SCHEMBL19922758 0.88 TNK2 (0.78) TNK2MAP4K2ABL1BMXBCR
SCHEMBL19865443 0.87 TNK2 (0.72) TNK2MAP4K2ABL1BMXBCR
SCHEMBL19922946 0.86 TNK2 (0.73) TNK2MAP4K2ABL1BMXBCR
SCHEMBL23648637 0.86 TNK2 (0.70) TNK2MAP4K2ABL1BMXBCR
SCHEMBL23045858 0.86 TNK2 (0.82) TNK2MAP4K2ABL1BMXBCR
SCHEMBL19922940 0.86 TNK2 (0.84) TNK2MAP4K2ABL1BMXBCR
SCHEMBL23666351 0.86 TNK2 (0.70) TNK2MAP4K2ABL1BMXBCR

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
WO-2021040422-A1 NOVEL PYRIMIDO[4,5-D]PYRIMIDINE-2-ONE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY 한국과학기술연구원 2021-03-04 WO claimed
WO-2021040422-A1 NOVEL PYRIMIDO[4,5-D]PYRIMIDINE-2-ONE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY 한국과학기술연구원 2021-03-04 WO disclosed