SCHEMBL20125438

SCHEMBL20125438

c1nc(N2CCC3CCCC32)c2cc[nH]c2n1

nearest known ligand 0.95

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.95
JAK1 P23458 3/20 0.95
KIT P10721 1/20 0.56
AKT2 P31751 1/20 0.56
GSK3B P49841 1/20 0.56
LCK P06239 1/20 0.54

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
SCHEMBL16764960 0.85 JAK3 (0.73) JAK3JAK1KITAKT2GSK3B
SCHEMBL16764926 0.85 JAK3 (0.73) JAK3JAK1KITAKT2GSK3B
SCHEMBL20183405 0.82 JAK3 (0.70) JAK3JAK1KITAKT2GSK3B
SCHEMBL20183418 0.82 JAK3 (0.70) JAK3JAK1KITAKT2GSK3B
SCHEMBL10170240 0.81 JAK3 (0.67) JAK3JAK1KITAKT2GSK3B
SCHEMBL15208683 0.81 JAK3 (0.67) JAK3JAK1KITAKT2GSK3B
SCHEMBL20582811 0.81 JAK3 (0.67) JAK3JAK1KITAKT2GSK3B
SCHEMBL10169663 0.81 JAK3 (0.67) JAK3JAK1KITAKT2GSK3B
SCHEMBL10169662 0.81 JAK3 (0.67) JAK3JAK1KITAKT2GSK3B
SCHEMBL16785965 0.78 JAK3 (1.00) JAK3JAK1

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
EP-3318565-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES Pfizer Inc (US) 2018-05-09 EP disclosed