SCHEMBL29052169

SCHEMBL29052169

CC(C)(C)OC(=O)N1CCc2ccc(Nc3ncc(C(F)(F)F)c(NCc4nccnc4NS(C)(=O)=O)n3)cc2CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 14/20 0.56
▸ FLT3 P36888 14/20 0.56
▸ AURKA O14965 1/20 0.49
▸ RPS6KA5 O75582 1/20 0.49
▸ RPS6KA4 O75676 1/20 0.49
▸ KIT P10721 1/20 0.49
▸ RPS6KB1 P23443 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ RPS6KA3 P51812 1/20 0.49
▸ RPS6KA2 Q15349 1/20 0.49
▸ RPS6KA1 Q15418 1/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.49
▸ RPS6KB2 Q9UBS0 1/20 0.49
▸ RPS6KA6 Q9UK32 1/20 0.49
▸ PTK2 Q05397 6/20 0.47

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
SCHEMBL29052199 0.80 FLT3 (0.49) CHEK1FLT3AURKARPS6KA5RPS6KA4
SCHEMBL29051705 0.78 FLT3 (0.58) CHEK1FLT3AURKARPS6KA5RPS6KA4
SCHEMBL29051729 0.78 FLT3 (0.48) CHEK1FLT3
SCHEMBL29052381 0.77 FLT3 (0.52) CHEK1FLT3AURKACDK2PTK2
SCHEMBL18354601 0.77 PTK2 (0.75) FLT3AURKACDK2PTK2
SCHEMBL23754838 0.75 FLT3 (0.60) CHEK1FLT3KITRPS6KB1
SCHEMBL30086202 0.75 FLT3 (0.60) CHEK1FLT3KITRPS6KB1
SCHEMBL29052136 0.75 FLT3 (0.46) CHEK1FLT3AURKARPS6KA5RPS6KA4
SCHEMBL17545090 0.75 FLT3 (0.75) CHEK1FLT3KITRPS6KB1
SCHEMBL23764827 0.75 CHEK1 (0.75) CHEK1FLT3KITRPS6KB1

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-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 — — CN disclosed
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