SCHEMBL30381504

SCHEMBL30381504

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.79
▸ JAK1 P23458 13/20 0.79
▸ JAK2 O60674 7/20 0.79
▸ BRD4 O60885 7/20 0.79
▸ RET P07949 4/20 0.79
▸ TYK2 P29597 4/20 0.79
▸ FLT3 P36888 4/20 0.79
▸ BTK Q06187 4/20 0.79
▸ SYK P43405 4/20 0.79
▸ EGFR P00533 3/20 0.79
▸ PLK4 O00444 3/20 0.79
▸ CHEK1 O14757 3/20 0.79
▸ AURKA O14965 3/20 0.79
▸ DCLK1 O15075 3/20 0.79
▸ DAPK3 O43293 3/20 0.79
▸ ROCK2 O75116 3/20 0.79
▸ PAK4 O96013 3/20 0.79
▸ ABL1 P00519 3/20 0.79
▸ NTRK1 P04629 3/20 0.79
▸ INSR P06213 3/20 0.79

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
SCHEMBL264158 1.00 JAK3 (0.79) JAK3JAK1JAK2BRD4RET
SCHEMBL28489539 0.92 BRD4 (0.81) JAK3JAK1JAK2BRD4RET
SCHEMBL20285974 0.92 JAK2 (0.81) JAK3JAK1JAK2BRD4RET
SCHEMBL20330039 0.92 BRD4 (0.82) JAK3JAK1JAK2BRD4RET
SCHEMBL16985210 0.91 BRD4 (0.84) JAK3JAK1JAK2BRD4RET
Fedratinib SCHEMBL29351417 0.89 BRD4 (1.00) JAK3JAK1JAK2BRD4RET
Fedratinib SCHEMBL263741 0.89 BRD4 (1.00) JAK3JAK1JAK2BRD4RET
SCHEMBL13868200 0.88 BRD4 (0.79) JAK3JAK1JAK2BRD4RET
Fedratinib SCHEMBL2734027 0.88 BRD4 (0.98) JAK3JAK1JAK2BRD4RET
Fedratinib SCHEMBL21773035 0.87 BRD4 (0.91) JAK3JAK1JAK2BRD4RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163437-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2025-03-04 — — CN disclosed
CN-116490507-A Heterocyclic condensation CDC7 kinase inhibitors for the treatment of cancer 薛定谔公司 2023-07-25 — — CN disclosed
CN-111630054-B Substituted pyrazolo [3,4-d ] pyrimidine compounds as RET kinase inhibitors 奥瑞生物药品公司 2023-05-09 — — CN disclosed
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