SCHEMBL21207663

SCHEMBL21207663

CCCC(=O)c1cnc2[nH]ccc2c1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.48
JAK3 P52333 7/20 0.43
JAK1 P23458 6/20 0.43
AXL P30530 1/20 0.43
PRKCI P41743 1/20 0.43
JAK2 O60674 2/20 0.39

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
SCHEMBL24319816 0.82 AXL (0.43) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL1082037 0.81 AXL (0.47) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL24495812 0.80 JAK2 (0.53) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL2632955 0.79 NUDT1 (0.50) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL31403755 0.79 NUDT1 (0.50) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL18416820 0.74 PRKCI (0.50) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL6128699 0.73 PRKCI (0.45) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL27105519 0.72 JAK3 (0.47) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL20597839 0.71 AXL (0.43) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL20990227 0.70 NUDT1 (0.65) NUDT1JAK3JAK1

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-2019090158-A9 SUBSTITUTED PYRROLOPYRIMIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME ACLARIS THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed