SCHEMBL30705259

SCHEMBL30705259

COc1ccc2c(c1)c(-c1ncnc(Nc3cc([N+](=O)[O-])c(F)cc3OC)n1)cn2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
PTK2 Q05397 2/20 0.39
EGFR P00533 8/20 0.39
CDK9 P50750 3/20 0.38
CCNT1 O60563 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
MAPT P10636 2/20 0.38
LCK P06239 2/20 0.38
IGF1R P08069 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
CDK7 P50613 2/20 0.38
LRRK2 Q5S007 2/20 0.38
AURKB Q96GD4 2/20 0.38
JAK2 O60674 1/20 0.38
BTK Q06187 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL24240383 1.00 MKNK1 (0.45) MKNK1MKNK2PTK2EGFRCDK9
SCHEMBL24240390 0.93 EGFR (0.44) MKNK1MKNK2EGFRCDK9CCNT1
SCHEMBL24240376 0.91 EGFR (0.38) MKNK1MKNK2EGFRCDK9CCNT1
SCHEMBL30705245 0.87 CCNT1 (0.36) MKNK1MKNK2EGFRCDK9CCNT1
SCHEMBL24240392 0.87 CCNT1 (0.36) MKNK1MKNK2EGFRCDK9CCNT1
SCHEMBL22509274 0.84 EGFR (0.51) EGFRBTKALK
SCHEMBL30705253 0.84 EGFR (0.37) PTK2EGFRCDK9CCNT1CCNE1
SCHEMBL24240378 0.84 EGFR (0.37) PTK2EGFRCDK9CCNT1CCNE1
SCHEMBL24496892 0.83 EGFR (0.39) EGFRCDK9CCNT1CCNE1CDK2
SCHEMBL29162975 0.83 EGFR (0.38) PTK2EGFRCDK9CCNT1CCNE1

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