SCHEMBL30705245

SCHEMBL30705245

COc1cc2c(-c3ncnc(Nc4cc([N+](=O)[O-])c(F)cc4OC)n3)cn(C)c2cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.36
CCNE1 P24864 5/20 0.36
CDK2 P24941 5/20 0.36
CDK9 P50750 5/20 0.36
EGFR P00533 5/20 0.36
EIF2AK3 Q9NZJ5 3/20 0.36
CCNE2 O96020 2/20 0.35
GSK3B P49841 2/20 0.34
CCNK O75909 1/20 0.34
CDK1 P06493 1/20 0.34
YES1 P07947 1/20 0.34
LYN P07948 1/20 0.34
FGR P09769 1/20 0.34
SRC P12931 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
EPHA1 P21709 1/20 0.34
ABL2 P42684 1/20 0.34
GSK3A P49840 1/20 0.34
IRAK1 P51617 1/20 0.34

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
SCHEMBL24240392 1.00 CCNT1 (0.36) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL24240376 0.89 EGFR (0.38) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL24240390 0.88 EGFR (0.44) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL24240383 0.87 MKNK1 (0.45) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL30705259 0.87 MKNK1 (0.45) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL24496878 0.84 EGFR (0.47) EGFR
SCHEMBL30705253 0.79 EGFR (0.37) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL24240378 0.79 EGFR (0.37) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL24496892 0.78 EGFR (0.39) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL29162975 0.78 EGFR (0.38) CCNT1CCNE1CDK2CDK9EGFR

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
CN-111747950-B Pyrimidine derivatives for the treatment of cancer 深圳福沃药业有限公司 2024-01-23 CN disclosed