SCHEMBL28345646

SCHEMBL28345646

C=CC(=O)NC1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.60
AKT2 P31751 2/20 0.60
GSK3B P49841 2/20 0.60
LCK P06239 1/20 0.59
JAK3 P52333 10/20 0.55
JAK1 P23458 2/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL28345597 0.87 DOT1L (0.66) JAK3
SCHEMBL29436071 0.86 KIT (0.66) KITAKT2GSK3BLCKJAK3
SCHEMBL15664244 0.84 KIT (0.68) KITAKT2GSK3BLCKJAK3
SCHEMBL15664428 0.83 KIT (0.67) KITAKT2GSK3BLCKJAK3
SCHEMBL15663627 0.82 KIT (0.60) KITAKT2GSK3BLCKJAK3
SCHEMBL15664424 0.81 JAK3 (0.60) KITAKT2GSK3BLCKJAK3
SCHEMBL9967045 0.81 KIT (0.65) KITAKT2GSK3BLCKJAK3
SCHEMBL15664101 0.81 KIT (0.67) KITAKT2GSK3BLCKJAK3
SCHEMBL9967220 0.80 JAK3 (0.58) KITAKT2GSK3BLCKJAK3
SCHEMBL9967160 0.80 JAK3 (0.61) KITAKT2GSK3BLCKJAK3

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