SCHEMBL18600087

SCHEMBL18600087

CC(=O)NC1=CC=C(C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PGR P06401 2/20 0.35
KDM1A O60341 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
IDO1 P14902 1/20 0.34
MAPK8 P45983 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK9 P45984 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL16417296 0.82 SMN1; SMN2 (0.46) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL12660665 0.73 TDP1 (0.42) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL21975125 0.72 SMN1; SMN2 (0.38) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL25626251 0.71
SCHEMBL24312000 0.70 ALDH1A1 (0.34) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL18602233 0.68 PGR (0.32) KMT2AALDH1A1MEN1GAAHTT
SCHEMBL12462387 0.68 SMN1; SMN2 (0.34) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL18602471 0.68 SMN1; SMN2 (0.38) KMT2AALDH1A1MEN1SMN1; SMN2KDM4E
SCHEMBL11401168 0.68 PTPN1 (0.40) ALDH1A1GAAKDM4EHPGDTDP1
SCHEMBL14047148 0.66 CA1 (0.37) KMT2AMEN1SMN1; SMN2HPGDHTT

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
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed