SCHEMBL21242579

SCHEMBL21242579

CNc1nc2cccc(C3=CCN(C(=O)C4CC4(F)F)C3)n2n1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.76
JAK2 O60674 19/20 0.76
TYK2 P29597 17/20 0.76
JAK3 P52333 11/20 0.63
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL21242546 0.87 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP2C9
SCHEMBL24799653 0.74 JAK2 (0.79) JAK1JAK2TYK2JAK3CYP2C9
SCHEMBL21242551 0.72 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL23424173 0.69 JAK1 (0.75) JAK1JAK2TYK2JAK3CYP2C9
SCHEMBL21242957 0.68 JAK1 (0.68) JAK1JAK2TYK2JAK3
SCHEMBL21242548 0.65 JAK1 (0.83) JAK1JAK2TYK2JAK3
SCHEMBL13031549 0.65 JAK1 (0.74) JAK1JAK2TYK2JAK3
SCHEMBL21242550 0.65 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21242547 0.64 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP2C19
SCHEMBL21242560 0.64 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP2C19

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-2019149244-A1 JAK INHIBITOR AND USE THEREOF 南京明德新药研发股份有限公司 2019-08-08 WO disclosed