SCHEMBL30455447

SCHEMBL30455447

Cn1cc(Nc2ncc(C(N)=O)c(NCc3cccc(C(F)(F)F)c3)n2)cn1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.83
JAK2 O60674 8/20 0.70
JAK1 P23458 7/20 0.70
STAT6 P42226 1/20 0.70
TYK2 P29597 2/20 0.59
KDR P35968 1/20 0.58
AURKB Q96GD4 1/20 0.58

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
SCHEMBL22261158 1.00 JAK3 (0.83) JAK3JAK2JAK1STAT6TYK2
SCHEMBL29622786 0.91 JAK3 (0.83) JAK3JAK2JAK1STAT6TYK2
SCHEMBL22261166 0.91 JAK3 (0.83) JAK3JAK2JAK1STAT6TYK2
SCHEMBL29622849 0.89 JAK3 (0.81) JAK3JAK2JAK1STAT6TYK2
SCHEMBL22261148 0.89 JAK3 (0.81) JAK3JAK2JAK1STAT6TYK2
SCHEMBL22261091 0.88 JAK3 (0.80) JAK3JAK2JAK1TYK2
SCHEMBL29622811 0.88 JAK3 (0.80) JAK3JAK2JAK1TYK2
SCHEMBL22261289 0.88 JAK3 (0.83) JAK3JAK2JAK1STAT6TYK2
SCHEMBL29622795 0.88 JAK3 (0.83) JAK3JAK2JAK1STAT6TYK2
SCHEMBL22261057 0.88 JAK3 (0.81) JAK3JAK2JAK1STAT6

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-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed