SCHEMBL29052199

SCHEMBL29052199

CS(=O)(=O)Nc1nccnc1CNc1nc(Nc2ccc3c(c2)CCN(C(=O)O)C3)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 17/20 0.49
▸ CHEK1 O14757 15/20 0.49
▸ JAK2 O60674 2/20 0.48
▸ KIT P10721 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ RPS6KA5 O75582 1/20 0.44
▸ RPS6KA4 O75676 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ RPS6KA2 Q15349 1/20 0.44
▸ RPS6KA1 Q15418 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ RPS6KB2 Q9UBS0 1/20 0.44
▸ RPS6KA6 Q9UK32 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CDK6 Q00534 1/20 0.43

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
SCHEMBL29051729 0.92 FLT3 (0.48) FLT3CHEK1JAK2EGFR
SCHEMBL29051865 0.90 FLT3 (0.47) FLT3CHEK1JAK2KITAURKA
SCHEMBL29052136 0.89 FLT3 (0.46) FLT3CHEK1JAK2KITAURKA
SCHEMBL29051884 0.87 FLT3 (0.45) FLT3CHEK1JAK2CSF1R
SCHEMBL29051723 0.86 CDK4 (0.51) FLT3CHEK1CDK2CDK4CDK6
Hydrochloric Acid SCHEMBL29051704 0.81 CSF1R (0.45) CSF1RCDK4CDK6AXLTYRO3
SCHEMBL29051940 0.81 FLT3 (0.46) FLT3CHEK1JAK2AURKARPS6KB1
SCHEMBL29051907 0.81 BTK (0.45) FLT3CHEK1JAK2AXLTYRO3
SCHEMBL29052266 0.81 INSR (0.46) FLT3CHEK1AXL
SCHEMBL29052409 0.79 FLT3 (0.44) FLT3CHEK1JAK2KITRPS6KB1

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
Send feedback