SCHEMBL28706992

SCHEMBL28706992

Cc1cnc(Cl)nc1-c1cnn(CCC#N)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.62
TYK2 P29597 16/20 0.62
JAK1 P23458 12/20 0.62
STAT3 P40763 11/20 0.62
JAK3 P52333 11/20 0.62
ABL1 P00519 2/20 0.58
KDR P35968 2/20 0.58
GSK3B P49841 2/20 0.58
AURKB Q96GD4 2/20 0.58
KDM5A P29375 1/20 0.43
FLT3 P36888 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL29425714 1.00 JAK2 (0.62) JAK2TYK2JAK1STAT3JAK3
SCHEMBL29232075 0.87 JAK2 (0.58) JAK2TYK2JAK1STAT3JAK3
SCHEMBL30258437 0.87 JAK2 (0.58) JAK2TYK2JAK1STAT3JAK3
SCHEMBL29425736 0.85 JAK2 (0.53) JAK2TYK2JAK1STAT3JAK3
SCHEMBL28706987 0.85 JAK2 (0.53) JAK2TYK2JAK1STAT3JAK3
SCHEMBL29232102 0.82 JAK2 (0.60) JAK2TYK2JAK1STAT3JAK3
SCHEMBL29232088 0.81 JAK2 (0.58) JAK2TYK2JAK1STAT3JAK3
SCHEMBL30291208 0.75 FFAR1 (0.44) JAK2TYK2JAK1STAT3JAK3
SCHEMBL30258661 0.74 JAK2 (0.39) JAK2TYK2JAK1STAT3JAK3
SCHEMBL29232076 0.74 JAK2 (0.39) JAK2TYK2JAK1STAT3JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159528-A Pyrazole compounds that inhibit Janus kinase and uses thereof 爱瑞制药公司 2024-06-07 CN disclosed
CN-114181199-A 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof 成都赜灵生物医药科技有限公司 2022-03-15 CN disclosed