SCHEMBL24799653

SCHEMBL24799653

CNc1nc2cccc(C3CCC4(CC3)CN(C(=O)C3CC3(F)F)C4)n2n1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.79
JAK1 P23458 20/20 0.79
TYK2 P29597 20/20 0.79
JAK3 P52333 12/20 0.79
CYP2C19 P33261 3/20 0.70
CYP2C9 P11712 2/20 0.70
CYP1A2 P05177 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
SCHEMBL21757002 0.90 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757020 0.90 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757106 0.90 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL23584394 0.90 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757090 0.88 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL24742739 0.88 JAK2 (0.81) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757000 0.88 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757111 0.88 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL24742801 0.87 JAK2 (0.73) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL23424195 0.84 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C19

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-4108664-A1 CRYSTALLINE FORM OF JAK INHIBITOR AND APPLICATION THEREOF Zhuhai United Laboratories Co., Ltd (CN) 2022-12-28 EP disclosed