SCHEMBL18599484

SCHEMBL18599484

CC(=O)Nc1cccc(C(N)CC#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.47
NR4A1 P22736 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 3/20 0.46
CYP1A2 P05177 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46
TSHR P16473 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5151638 0.86 ALDH1A1 (0.47) ALDH1A1POLBNR4A1RAB9AHSD17B10
SCHEMBL31163394 0.86 ALDH1A1 (0.47) ALDH1A1POLBNR4A1RAB9AHSD17B10
SCHEMBL9921728 0.84 HSD17B10 (0.48) ALDH1A1POLBNR4A1RAB9AHSD17B10
SCHEMBL19062169 0.84 HSD17B10 (0.48) ALDH1A1POLBNR4A1RAB9AHSD17B10
SCHEMBL4705983 0.82 ALDH1A1 (0.54) ALDH1A1POLBNR4A1RAB9AHSD17B10
SCHEMBL9918218 0.82 CYP3A4 (0.50) ALDH1A1POLBNR4A1RAB9AHSD17B10
SCHEMBL19592361 0.81 ALDH1A1 (0.47) ALDH1A1POLBNR4A1RAB9AHSD17B10
SCHEMBL19592362 0.79 HSD17B10 (0.46) ALDH1A1POLBNR4A1RAB9AHSD17B10
SCHEMBL17107060 0.78 HSD17B10 (0.50) ALDH1A1POLBNR4A1RAB9AHSD17B10
SCHEMBL4362389 0.77 ALDH1A1 (0.59) ALDH1A1POLBNR4A1RAB9AHSD17B10

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