SCHEMBL31364657

SCHEMBL31364657

CC(C)(C)OC(=O)Nc1cc2c(NCC(C)(C)C(F)(F)F)ncnc2c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.40
RPS6KB1 P23443 8/20 0.40
AURKB Q96GD4 4/20 0.35
EGFR P00533 2/20 0.35
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
ATR Q13535 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
SYK P43405 1/20 0.33
MAP4K4 O95819 1/20 0.32

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
SCHEMBL31364640 0.90 AURKA (0.42) AURKARPS6KB1AURKBEGFRATR
SCHEMBL31364671 0.77 JAK2 (0.38) AURKARPS6KB1AURKBEGFRDYRK1A
SCHEMBL31364639 0.77 AURKA (0.37) AURKARPS6KB1AURKBEGFR
SCHEMBL31364650 0.69 JAK2 (0.48) EGFRDYRK1A
SCHEMBL4438011 0.66 ATF1 (0.42) CACNA1HCACNA1BCACNA1CATRSTK17B
SCHEMBL21397386 0.66 LCK (0.43) ATRSTK17BSTK17AGSK3BDYRK1A
SCHEMBL29891274 0.66 LCK (0.43) ATRSTK17BSTK17AGSK3BDYRK1A
SCHEMBL18805591 0.65 ATR (0.45) AURKBEGFRATRGSK3BDYRK1A
SCHEMBL29400652 0.65 ATR (0.45) AURKBEGFRATRGSK3BDYRK1A
SCHEMBL22028997 0.65 XPO1 (0.51) CACNA1HCACNA1BCACNA1CATRGSK3B

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
WO-2025020886-A1 AZAQUINAZOLINE RING DERIVATIVE AND USE THEREOF 浙江星浩澎博医药有限公司 2025-01-30 WO disclosed