SCHEMBL22462089

SCHEMBL22462089

CCS(=O)(=O)N1CCC(N2C[C](n3cc(-c4ncnc5[nH]ccc45)cn3)C2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.66
JAK2 O60674 18/20 0.57
TYK2 P29597 2/20 0.53
JAK3 P52333 2/20 0.53
CIT O14578 1/20 0.53
GAK O14976 1/20 0.53
ROCK2 O75116 1/20 0.53
ULK1 O75385 1/20 0.53
PRKCB P05771 1/20 0.53
RET P07949 1/20 0.53
PRKCA P17252 1/20 0.53
PRKACA P17612 1/20 0.53
MARK3 P27448 1/20 0.53
STAT3 P40763 1/20 0.53
CLK1 P49759 1/20 0.53
CSNK1G2 P78368 1/20 0.53
PRKCD Q05655 1/20 0.53
MAP3K1 Q13233 1/20 0.53
ROCK1 Q13464 1/20 0.53
TNK1 Q13470 1/20 0.53

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
SCHEMBL22462090 0.92 JAK2 (0.65) JAK1JAK2
SCHEMBL22462086 0.90 JAK2 (0.66) JAK1JAK2TYK2JAK3
SCHEMBL3378527 0.88 JAK1 (0.60) JAK1JAK2TYK2JAK3CIT
SCHEMBL6127153 0.86 JAK1 (0.58) JAK1JAK2TYK2JAK3CIT
SCHEMBL14563734 0.86 JAK2 (0.52) JAK1JAK2
SCHEMBL27182358 0.85 JAK2 (0.51) JAK1JAK2
SCHEMBL28472073 0.85 JAK1 (0.67) JAK1JAK2TYK2JAK3CIT
SCHEMBL14563845 0.84 JAK2 (0.50) JAK1JAK2
SCHEMBL14563676 0.84 JAK2 (0.69) JAK1JAK2
SCHEMBL3376215 0.81 JAK2 (0.53) JAK1JAK2TYK2JAK3CIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715347-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2021-12-22 EP claimed
EP-3715347-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2020-09-30 EP claimed
EP-3715347-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2020-09-30 EP disclosed