SCHEMBL21078397

SCHEMBL21078397

CC(C)C(=O)Nc1nc2c(-c3ccc(CN4CC(NC5CC5)C4)cc3)cccn2n1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.76
JAK3 P52333 11/20 0.49
JAK2 O60674 10/20 0.45
PTK2 Q05397 10/20 0.45
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL19823053 0.89 JAK1 (0.80) JAK1JAK3JAK2PTK2
SCHEMBL19823063 0.88 JAK1 (0.76) JAK1JAK3JAK2PTK2
SCHEMBL24062643 0.86 JAK1 (0.75) JAK1JAK3JAK2PTK2
SCHEMBL21044831 0.86 JAK1 (1.00) JAK1JAK3JAK2PTK2
SCHEMBL22110347 0.86 JAK1 (1.00) JAK1JAK3JAK2PTK2
SCHEMBL21044810 0.85 JAK1 (1.00) JAK1JAK3JAK2PTK2
SCHEMBL24062654 0.78 JAK1 (0.80) JAK1JAK3JAK2PTK2
SCHEMBL24062733 0.76 JAK1 (0.56) JAK1JAK3JAK2PTK2PSEN1
SCHEMBL19823046 0.76 JAK1 (0.77) JAK1JAK3JAK2PTK2
SCHEMBL19823062 0.76 JAK1 (0.75) JAK1JAK3JAK2PTK2

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-3492469-A1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF Tianjin Longbogene Pharmaceutical Co., Ltd. (CN) 2019-06-05 EP disclosed