SCHEMBL21159353

SCHEMBL21159353

Nc1ncnc(N(N)C2CCCC(CF)C2)c1N

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.34
JAK2 O60674 6/20 0.34
TYK2 P29597 5/20 0.34
JAK1 P23458 8/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32
CSF1R P07333 1/20 0.30

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
SCHEMBL21159572 0.86 MAP4K4 (0.36) JAK3JAK2TYK2JAK1MEN1
SCHEMBL21159280 0.86 JAK1 (0.37) JAK3JAK2TYK2JAK1MEN1
SCHEMBL21159272 0.79 JAK3 (0.42) JAK3JAK2JAK1MEN1KMT2A
SCHEMBL19916990 0.79 JAK3 (0.42) JAK3JAK2JAK1MEN1KMT2A
SCHEMBL21159366 0.79 JAK3 (0.49) JAK3JAK2TYK2JAK1MEN1
SCHEMBL19917011 0.78 MAP4K4 (0.36) JAK3JAK2TYK2JAK1MEN1
SCHEMBL21159292 0.78 JAK3 (0.33) JAK3JAK2TYK2JAK1MEN1
SCHEMBL21159262 0.76 MAP4K4 (0.36) JAK3JAK2TYK2JAK1MEN1
SCHEMBL21159582 0.71 JAK2 (0.35) JAK3JAK2TYK2JAK1
SCHEMBL21159570 0.71 JAK2 (0.37) JAK3JAK2JAK1MEN1KMT2A

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-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed