SCHEMBL29052409

SCHEMBL29052409

CN(Cc1nccnc1NS(C)(=O)=O)c1ccnc(Nc2ccc3c(c2)CCN(C(=O)O)C3)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 16/20 0.44
▸ CHEK1 O14757 11/20 0.44
▸ JAK2 O60674 5/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ ACVR1 Q04771 2/20 0.39
▸ KIT P10721 2/20 0.39
▸ MAP3K7 O43318 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CDK6 Q00534 1/20 0.38

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
SCHEMBL29051884 0.84 FLT3 (0.45) FLT3CHEK1JAK2TYK2ACVR1
SCHEMBL29051729 0.80 FLT3 (0.48) FLT3CHEK1JAK2JAK1TYK2
SCHEMBL29052199 0.79 FLT3 (0.49) FLT3CHEK1JAK2KITRPS6KB1
SCHEMBL29051907 0.79 BTK (0.45) FLT3CHEK1JAK2JAK1TYK2
SCHEMBL29052136 0.78 FLT3 (0.46) FLT3CHEK1JAK2KITRPS6KB1
Hydrochloric Acid SCHEMBL29051856 0.74 WEE1 (0.44) ACVR1
SCHEMBL29051940 0.73 FLT3 (0.46) FLT3CHEK1JAK2JAK1TYK2
SCHEMBL16634913 0.72 KCNA1 (0.49) —
SCHEMBL29051865 0.72 FLT3 (0.47) FLT3CHEK1JAK2TYK2JAK3
SCHEMBL29052266 0.72 INSR (0.46) FLT3CHEK1

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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