SCHEMBL18599247

SCHEMBL18599247

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53BP1 Q12888 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 2/20 0.39
ALOX5 P09917 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAOB P27338 1/20 0.39
CHRM2 P08172 1/20 0.39
ADORA1 P30542 1/20 0.38
MEN1 O00255 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
SCHEMBL19062131 0.85 TERT (0.49) TERTSMN1; SMN2TP53BP1L3MBTL1KDM4E
SCHEMBL12303198 0.85 TERT (0.49) TERTSMN1; SMN2TP53BP1L3MBTL1KDM4E
SCHEMBL19592389 0.85 TP53BP1 (0.43) TERTSMN1; SMN2TP53BP1L3MBTL1KDM4E
SCHEMBL18175876 0.84 HDAC8 (0.45) TP53BP1GPR139ALDH1A1KMT2AGAA
SCHEMBL8737487 0.83 TP53BP1 (0.46) TERTSMN1; SMN2TP53BP1L3MBTL1KDM4E
SCHEMBL19592388 0.82 TERT (0.43) TERTSMN1; SMN2TP53BP1L3MBTL1KDM4E
SCHEMBL12829992 0.78 L3MBTL1 (0.63) SMN1; SMN2TP53BP1L3MBTL1KDM4EEPHX2
SCHEMBL11994348 0.78 TP53BP1 (0.65) TERTSMN1; SMN2TP53BP1L3MBTL1KDM4E
SCHEMBL22557527 0.77 L3MBTL1 (0.55) SMN1; SMN2TP53BP1L3MBTL1KDM4EEPHX2
SCHEMBL285298 0.74 SMN1; SMN2 (0.62) TERTSMN1; SMN2L3MBTL1KDM4EALDH1A1

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