SCHEMBL20582811

SCHEMBL20582811

c1nc(N2CCC3NCCC[C@H]32)c2cc[nH]c2n1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.67
JAK1 P23458 3/20 0.67
AKT2 P31751 2/20 0.52
GSK3B P49841 2/20 0.52
KIT P10721 1/20 0.52
HTR2C P28335 1/20 0.51
LCK P06239 1/20 0.51
DOT1L Q8TEK3 1/20 0.51

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
SCHEMBL15208683 1.00 JAK3 (0.67) JAK3JAK1AKT2GSK3BKIT
SCHEMBL10169662 1.00 JAK3 (0.67) JAK3JAK1AKT2GSK3BKIT
SCHEMBL10169663 1.00 JAK3 (0.67) JAK3JAK1AKT2GSK3BKIT
SCHEMBL10170240 1.00 JAK3 (0.67) JAK3JAK1AKT2GSK3BKIT
SCHEMBL20125438 0.81 JAK3 (0.95) JAK3JAK1AKT2GSK3BKIT
SCHEMBL16764926 0.77 JAK3 (0.73) JAK3JAK1AKT2GSK3BKIT
SCHEMBL16764960 0.77 JAK3 (0.73) JAK3JAK1AKT2GSK3BKIT
SCHEMBL20183418 0.74 JAK3 (0.70) JAK3JAK1AKT2GSK3BKIT
SCHEMBL20183405 0.74 JAK3 (0.70) JAK3JAK1AKT2GSK3BKIT
SCHEMBL15207751 0.74 JAK3 (0.62) JAK3JAK1AKT2DOT1L

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-2629777-B1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-12-19 EP disclosed