SCHEMBL28345670

SCHEMBL28345670

c1nc(C2CCCNC2)c2cc[nH]c2n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.59
JAK1 P23458 7/20 0.59
JAK2 O60674 4/20 0.59
HPGDS O60760 1/20 0.47
HTR2C P28335 1/20 0.43
TYK2 P29597 1/20 0.43

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
SCHEMBL24121893 0.91 JAK3 (0.49) JAK3JAK1JAK2HPGDSHTR2C
SCHEMBL2113254 0.85 HPGDS (0.58) JAK3JAK1JAK2HPGDSTYK2
SCHEMBL12696509 0.83 JAK2 (0.52) JAK3JAK1JAK2HPGDSTYK2
SCHEMBL13961118 0.83 JAK3 (0.58) JAK3JAK1JAK2HPGDSTYK2
SCHEMBL24121894 0.83 JAK3 (0.58) JAK3JAK1JAK2HPGDSTYK2
SCHEMBL1093969 0.81 HPGDS (0.53) JAK3JAK1JAK2HPGDSTYK2
SCHEMBL24121887 0.79 KIT (0.54) JAK3JAK1JAK2HPGDSTYK2
SCHEMBL24121677 0.78 KIT (0.52) JAK3JAK1JAK2HPGDSTYK2
SCHEMBL4063065 0.77 JAK2 (0.56) JAK3JAK1JAK2TYK2
SCHEMBL28080556 0.77 DOT1L (0.50) JAK3JAK1JAK2HPGDSTYK2

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
CN-105712998-B Azaindole derivatives, preparation method and medical application thereof 上海润诺生物科技有限公司 2019-12-13 CN disclosed