SCHEMBL28383254

SCHEMBL28383254

C=CS(=O)(=O)Nc1cccc(-c2cccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.40
▸ BRD4 O60885 3/20 0.40
▸ FGFR1 P11362 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ EGFR P00533 4/20 0.38
▸ FGFR2 P21802 3/20 0.37
▸ TTK P33981 2/20 0.35
▸ JAK1 P23458 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 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
SCHEMBL28382355 0.91 PIM1 (0.34) PIM1PIM2
SCHEMBL28887739 0.88 EGFR (0.52) JAK2FGFR1KDREGFRFGFR2
SCHEMBL28383435 0.86 JAK2 (0.47) JAK2BRD4
SCHEMBL28388175 0.85 MAP4K1 (0.43) JAK2BRD4FGFR1KDREGFR
SCHEMBL28383253 0.85 JAK2 (0.44) JAK2BRD4
SCHEMBL28070382 0.84 TTK (0.45) TTK
SCHEMBL28383448 0.84 EGFR (0.42) JAK2BRD4FGFR1KDREGFR
SCHEMBL28070380 0.84 TTK (0.41) TTK
SCHEMBL28382399 0.84 CHEK1 (0.40) —
SCHEMBL28070373 0.84 MAPK10 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN claimed
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
CN-111285813-A Chemical entities, compositions, and methods 润新生物公司 2020-06-16 — — CN disclosed
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN disclosed
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