SCHEMBL22989504

SCHEMBL22989504

CCN(CC)C1(CC#N)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.41
JAK2 O60674 17/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSK P43235 1/20 0.38

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
SCHEMBL346150 0.86 JAK1 (0.43) JAK1JAK2MEN1ALDH1A1MAPT
SCHEMBL25270241 0.78 MEN1 (0.45) JAK1JAK2MEN1ALDH1A1MAPT
SCHEMBL9921830 0.78 MEN1 (0.44) JAK1JAK2MEN1ALDH1A1MAPT
SCHEMBL26148291 0.77 MEN1 (0.43) JAK1JAK2MEN1ALDH1A1MAPT
SCHEMBL22990017 0.76 USP2 (0.41) ALDH1A1MAPTCTSK
SCHEMBL22989493 0.76 JAK1 (0.45) JAK1JAK2MEN1ALDH1A1MAPT
SCHEMBL23009133 0.74 JAK1 (0.43) JAK1JAK2MEN1ALDH1A1MAPT
SCHEMBL9918818 0.74 MEN1 (0.41) JAK1JAK2MEN1ALDH1A1MAPT
SCHEMBL24584618 0.74 JAK1 (0.43) JAK1JAK2MEN1ALDH1A1MAPT
SCHEMBL24264915 0.73 JAK1 (0.44) JAK1JAK2MEN1ALDH1A1MAPT

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-2021027943-A1 PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-02-18 WO disclosed