SCHEMBL23299627

SCHEMBL23299627

CCC1CN(c2ccnc(Nc3cnn(C)c3)n2)CCN1C(=O)CC#N

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.57
▸ JAK1 P23458 20/20 0.57
▸ TYK2 P29597 20/20 0.57
▸ JAK3 P52333 7/20 0.57
▸ KDR P35968 1/20 0.51
▸ STAT1 P42224 1/20 0.51

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
SCHEMBL23276598 1.00 JAK2 (0.57) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276632 1.00 JAK2 (0.57) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276946 0.90 JAK1 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL23276945 0.90 JAK1 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL23276743 0.86 JAK2 (0.59) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276923 0.86 JAK2 (0.59) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276745 0.86 JAK2 (0.59) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276845 0.83 JAK1 (0.69) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276700 0.83 TYK2 (0.54) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276849 0.83 TYK2 (0.54) JAK2JAK1TYK2JAK3KDR

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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