SCHEMBL18599448

SCHEMBL18599448

CC(C)CC(CC#N)c1ccccc1OCC#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 6/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRPF1 P55201 1/20 0.33
DHFR P00374 1/20 0.33
KDM4E B2RXH2 1/20 0.32
P2RX3 P56373 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL12330461 0.85 PDE4A (0.38) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL9921700 0.81 KDM4E (0.37) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL9918378 0.79 KMT2A (0.45) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL171764 0.79 SGMS2 (0.34) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL11082488 0.78 ALDH1A1 (0.44) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL11078305 0.74 NPSR1 (0.47) SGMS2ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL11085344 0.74 CYP1A2 (0.38) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL31391963 0.73 ALOX5AP (0.39) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL9918828 0.72 BRPF1 (0.32) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL11082428 0.71 SGMS2 (0.57) SGMS2ALDH1A1LMNACYP1A2CYP2C9

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