SCHEMBL23276946

SCHEMBL23276946

CC1CN(c2ccnc(Nc3cnn(C)c3)n2)CCN1C(=O)CC#N

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.59
▸ JAK2 O60674 19/20 0.59
▸ TYK2 P29597 19/20 0.59
▸ JAK3 P52333 5/20 0.59

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
SCHEMBL23276945 1.00 JAK1 (0.59) JAK1JAK2TYK2JAK3
SCHEMBL23276697 0.91 JAK2 (0.59) JAK1JAK2TYK2JAK3
SCHEMBL23276598 0.90 JAK2 (0.57) JAK1JAK2TYK2JAK3
SCHEMBL23299627 0.90 JAK2 (0.57) JAK1JAK2TYK2JAK3
SCHEMBL23276632 0.90 JAK2 (0.57) JAK1JAK2TYK2JAK3
SCHEMBL23277045 0.86 JAK2 (0.60) JAK1JAK2TYK2JAK3
SCHEMBL23276949 0.86 JAK2 (0.61) JAK1JAK2TYK2JAK3
SCHEMBL23276947 0.86 JAK2 (0.61) JAK1JAK2TYK2JAK3
SCHEMBL23276867 0.81 JAK2 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL23276865 0.81 JAK2 (0.54) JAK1JAK2TYK2JAK3

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-2021078021-A1 SMALL MOLECULAR COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 — — WO disclosed
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