SCHEMBL21757009

SCHEMBL21757009

CCC(=O)N1CC2(CCC(F)(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.61
JAK1 P23458 19/20 0.61
TYK2 P29597 18/20 0.61
JAK3 P52333 8/20 0.61
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL23424233 0.91 TYK2 (0.74) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21756992 0.90 TYK2 (0.74) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21757099 0.90 JAK2 (0.74) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21757098 0.87 JAK2 (0.56) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL23424210 0.84 JAK1 (0.56) JAK2JAK1TYK2JAK3
SCHEMBL23424211 0.77 JAK1 (0.55) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL23584416 0.77 TYK2 (0.65) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL24742874 0.76 TYK2 (0.54) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21756994 0.76 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C9
SCHEMBL21757057 0.75 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C9

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
WO-2020038457-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND APPLICATION THEREOF 珠海联邦制药股份有限公司 2020-02-27 WO disclosed