SCHEMBL30849722

SCHEMBL30849722

COC(=O)c1cc2c(Br)c(F)c(C)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.43
KDR P35968 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
RPS6KB1 P23443 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
NTRK2 Q16620 1/20 0.42
AURKB Q96GD4 1/20 0.42
PTPN2 P17706 1/20 0.41
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39

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
SCHEMBL30849844 0.87 KDM4E (0.43) KDRCSNK2A1CSNK1DGSK3AGSK3B
SCHEMBL828767 0.79 CSNK2A2 (0.44) CSNK2A2KDRCSNK2BCSNK2A1RPS6KB1
SCHEMBL30714296 0.78 RPS6KB1 (0.45) CSNK2A2KDRCSNK2BCSNK2A1RPS6KB1
SCHEMBL26110533 0.78 RPS6KB1 (0.45) CSNK2A2KDRCSNK2BCSNK2A1RPS6KB1
SCHEMBL9431415 0.78 RPS6KB1 (0.44) CSNK2A2KDRCSNK2BCSNK2A1RPS6KB1
SCHEMBL3822544 0.75 ICAM1 (0.41) CSNK2A2KDRCSNK2BCSNK2A1RPS6KB1
SCHEMBL829006 0.75 CSNK2A2 (0.46) CSNK2A2KDRCSNK2BCSNK2A1RPS6KB1
SCHEMBL828902 0.74 CSNK2A2 (0.48) CSNK2A2KDRCSNK2BCSNK2A1RPS6KB1
SCHEMBL29207321 0.73
SCHEMBL15203667 0.73 CSNK2A2 (0.49) CSNK2A2KDRCSNK2BCSNK2A1RPS6KB1

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-117800975-A Compounds with anti-KRAS mutant tumor activity 泰励生物科技(上海)有限公司 2024-04-02 CN disclosed