SCHEMBL30401997

SCHEMBL30401997

COc1ccc(CNc2ncnc3c(C(=O)Nc4c(C)ccc5c(Nc6ccnc(C(F)(F)F)c6)nccc45)cccc23)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 13/20 0.47
▸ RPS6KB1 P23443 8/20 0.47
▸ AURKB Q96GD4 7/20 0.47
▸ RAF1 P04049 5/20 0.47
▸ BRAF P15056 5/20 0.47
▸ CSF1R P07333 2/20 0.43
▸ DDR1 Q08345 2/20 0.43
▸ DDR2 Q16832 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ PDPK1 O15530 2/20 0.42
▸ POLB P06746 1/20 0.40

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
SCHEMBL24399707 1.00 AURKA (0.47) AURKARPS6KB1AURKBRAF1BRAF
SCHEMBL24399624 0.91 RAF1 (0.57) AURKARPS6KB1AURKBRAF1BRAF
SCHEMBL30401720 0.91 RAF1 (0.57) AURKARPS6KB1AURKBRAF1BRAF
SCHEMBL30402711 0.90 AURKA (0.54) AURKARPS6KB1AURKBRAF1BRAF
SCHEMBL25376182 0.90 AURKA (0.54) AURKARPS6KB1AURKBRAF1BRAF
SCHEMBL25377008 0.89 RAF1 (0.54) AURKARPS6KB1AURKBRAF1BRAF
SCHEMBL30402002 0.89 RAF1 (0.54) AURKARPS6KB1AURKBRAF1BRAF
SCHEMBL24399551 0.89 RAF1 (0.56) AURKARPS6KB1AURKBRAF1BRAF
SCHEMBL30402799 0.89 RAF1 (0.56) AURKARPS6KB1AURKBRAF1BRAF
SCHEMBL24399622 0.88 AURKA (0.51) AURKARPS6KB1AURKBRAF1BRAF

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-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 — — CN disclosed
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