SCHEMBL30891576

SCHEMBL30891576

Cc1cnc(Nc2cnn(C3CCCCN3C(=O)OCc3ccccc3)c2)nc1-c1ccc(OCC(C)(C)C#N)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.36
▸ JAK2 O60674 8/20 0.36
▸ JAK1 P23458 6/20 0.36
▸ TYK2 P29597 5/20 0.36
▸ STAT3 P40763 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ AXL P30530 2/20 0.34
▸ IGF1R P08069 1/20 0.34

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
SCHEMBL29754196 0.89 IGF1R (0.43) JAK3JAK2JAK1TYK2CDK2
SCHEMBL27275335 0.89 IGF1R (0.43) JAK3JAK2JAK1TYK2CDK2
SCHEMBL28703864 0.87 JAK1 (0.39) JAK2JAK1TBK1BTKIGF1R
SCHEMBL30891589 0.87 GFER (0.39) JAK3JAK2JAK1TYK2BTK
SCHEMBL30956382 0.81 JAK2 (0.53) JAK3JAK2JAK1TYK2STAT3
SCHEMBL22546070 0.81 TBK1 (0.47) JAK3JAK2JAK1TYK2STAT3
SCHEMBL29754256 0.81 TBK1 (0.47) JAK3JAK2JAK1TYK2STAT3
SCHEMBL30956580 0.81 CPT1A (0.39) JAK3JAK2JAK1IGF1R
SCHEMBL22544824 0.81 IGF1R (0.48) CDK2IGF1R
SCHEMBL29754145 0.81 IGF1R (0.48) CDK2IGF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702683-A Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-09-27 — — CN disclosed
CN-113993861-B Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-05-14 — — CN disclosed
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