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SCHEMBL28415859

SCHEMBL28415859

C=CC(=O)Nc1ccnc(-c2c(CC)ccc3cnc(Nc4ccc(C5CNCCO5)cc4)nc23)c1.C=CC(=O)Nc1ccnc(-c2c(F)ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)c1.C=CC(=O)Nc1ccnc(-c2c(F)ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.44
▸ EGFR P00533 8/20 0.44
▸ BTK Q06187 4/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ FGFR1 P11362 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ BLK P51451 2/20 0.41
▸ BMX P51813 1/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ SRC P12931 1/20 0.41

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
SCHEMBL28388017 0.88 — —
SCHEMBL28388000 0.87 — —
SCHEMBL28415861 0.86 MAP3K7 (0.47) JAK3EGFRBTKJAK2JAK1
SCHEMBL28417562 0.86 EGFR (0.53) JAK3EGFRBTKJAK2JAK1
SCHEMBL16513818 0.84 EGFR (0.58) JAK3EGFRBTKJAK2JAK1
SCHEMBL16514924 0.83 EGFR (0.57) JAK3EGFRBTKJAK2JAK1
SCHEMBL16514601 0.83 EGFR (0.50) JAK3EGFRBTKJAK2JAK1
SCHEMBL28387169 0.81 — —
SCHEMBL28422007 0.81 EGFR (0.41) JAK3EGFR
SCHEMBL16514210 0.81 FGFR1 (0.56) JAK3EGFRBTKJAK2JAK1

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-111285813-A Chemical entities, compositions, and methods 润新生物公司 2020-06-16 — — CN disclosed
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