SCHEMBL19635668

SCHEMBL19635668

N#CN1CCC[C@@H](n2nc(-c3cnn(CC4CC4)c3)c3c(N)ncnc32)C1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.77
JAK2 O60674 17/20 0.77
JAK1 P23458 11/20 0.61
TYK2 P29597 7/20 0.57
BTK Q06187 4/20 0.52
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL19635666 0.87 JAK3 (0.72) JAK3JAK2JAK1TYK2BTK
SCHEMBL19635801 0.79 JAK2 (0.71) JAK3JAK2JAK1TYK2BTK
SCHEMBL17479775 0.76 BTK (0.74) JAK3BTKEGFR
SCHEMBL28888772 0.75 JAK2 (0.64) JAK3JAK2JAK1TYK2BTK
SCHEMBL28888774 0.75 JAK2 (0.64) JAK3JAK2JAK1TYK2BTK
SCHEMBL19635797 0.75 JAK2 (0.64) JAK3JAK2BTKEGFR
SCHEMBL19636023 0.75 JAK2 (0.64) JAK3JAK2BTKEGFR
SCHEMBL19635795 0.75 JAK3 (0.61) JAK3JAK2JAK1BTKPIK3CD
SCHEMBL19635803 0.75 JAK2 (0.64) JAK3JAK2JAK1TYK2BTK
SCHEMBL28399199 0.73 JAK2 (0.65) JAK3JAK2JAK1BTKPIK3CD

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
WO-2017198049-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF 浙江予川医药科技有限公司 2017-11-23 WO disclosed