SCHEMBL18175876

SCHEMBL18175876

CCC(CC#N)c1cccc(C(=O)NC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ROCK2 O75116 2/20 0.42
SLC7A5 Q01650 1/20 0.42
BRD4 O60885 2/20 0.39
GPR139 Q6DWJ6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
KMT2A Q03164 2/20 0.37
ADORA1 P30542 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CREBBP Q92793 1/20 0.37
TP53BP1 Q12888 1/20 0.36
PLK1 P53350 1/20 0.36
CTSL P07711 1/20 0.36
MEN1 O00255 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL20032411 0.87 HDAC8 (0.54) HDAC8HDAC6ROCK2SLC7A5ALDH1A1
SCHEMBL18599247 0.84 TERT (0.44) GPR139ALDH1A1KMT2AADORA1GAA
SCHEMBL9921712 0.83 HDAC8 (0.47) HDAC8HDAC6ROCK2SLC7A5BRD4
SCHEMBL19592283 0.83 HDAC8 (0.42) HDAC8HDAC6ROCK2SLC7A5BRD4
SCHEMBL171769 0.81 HDAC8 (0.45) HDAC8HDAC6ROCK2SLC7A5BRD4
SCHEMBL19592282 0.81 HDAC8 (0.45) HDAC8HDAC6ROCK2SLC7A5BRD4
SCHEMBL5947695 0.77 BRD4 (0.44) HDAC8HDAC6ROCK2SLC7A5BRD4
SCHEMBL14108019 0.77 HDAC8 (0.53) HDAC8HDAC6ROCK2SLC7A5ALDH1A1
SCHEMBL11928120 0.76 HDAC8 (0.51) HDAC8HDAC6ROCK2SLC7A5GPR139
SCHEMBL14983606 0.74 HDAC8 (0.50) HDAC8HDAC6ROCK2SLC7A5ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
EP-2474545-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-09 EP disclosed
EP-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed