SCHEMBL20375306

SCHEMBL20375306

C=CC(=O)N1CCC(n2nc(C)c3c(N)ncnc32)C1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.72
JAK3 P52333 8/20 0.72
JAK1 P23458 6/20 0.70
BTK Q06187 5/20 0.70
TYK2 P29597 1/20 0.70
EGFR P00533 4/20 0.70
FGFR2 P21802 5/20 0.69
MAP2K7 O14733 1/20 0.66
FGFR1 P11362 2/20 0.65
FGFR4 P22455 2/20 0.65
KDR P35968 2/20 0.65
FGFR3 P22607 1/20 0.65

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
SCHEMBL18619685 1.00 JAK2 (0.72) JAK2JAK3JAK1BTKTYK2
SCHEMBL18618502 0.94 EGFR (0.80) JAK2JAK3JAK1BTKTYK2
SCHEMBL18598903 0.94 EGFR (0.80) JAK2JAK3JAK1BTKTYK2
SCHEMBL26414383 0.94 EGFR (0.80) JAK2JAK3JAK1BTKTYK2
SCHEMBL17911486 0.88 EGFR (0.88) JAK2JAK3JAK1BTKTYK2
SCHEMBL30082483 0.88 EGFR (0.88) JAK2JAK3JAK1BTKTYK2
SCHEMBL17235861 0.88 EGFR (0.88) JAK2JAK3JAK1BTKTYK2
SCHEMBL17267791 0.88 EGFR (0.88) JAK2JAK3JAK1BTKTYK2
SCHEMBL19194158 0.88 FGFR2 (0.67) JAK2JAK3JAK1BTKTYK2
SCHEMBL18619684 0.88 JAK2 (0.66) JAK2JAK3JAK1BTKTYK2

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
EP-3345907-B1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2020-04-22 EP disclosed
EP-3345907-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-07-11 EP disclosed