SCHEMBL16740333

SCHEMBL16740333

CCc1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)n1Cc1ccccc1.Cc1noc(C)c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMI1 P35226 4/20 0.41
CYP1A2 P05177 8/20 0.38
CYP2C19 P33261 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
MAPK1 P28482 2/20 0.38
MDM2 Q00987 1/20 0.36
CYP3A4 P08684 5/20 0.35
TSHR P16473 1/20 0.35
BRAF P15056 1/20 0.35
HSD17B10 Q99714 5/20 0.35
ALOX15 P16050 4/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 2/20 0.35
APEX1 P27695 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL16747924 0.91 BMI1 (0.48) BMI1BRAFKCNH2SCN5ASCN9A
SCHEMBL16739738 0.81 CYP1A2 (0.47) BMI1CYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL16739766 0.70 CYP1A2 (0.49) CYP1A2CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL16747833 0.68 PKM (0.48) BMI1ALDH1A1MEN1KMT2ACLK4
SCHEMBL16740059 0.67 PTGDR2 (0.42) BRAFKCNH2SCN5ASCN9A
SCHEMBL16739788 0.66 SRC (0.48) CYP1A2CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL16739729 0.66 KCNH2 (0.43) BMI1BRAFMAPTBRD4KCNH2
SCHEMBL16740224 0.66 NR3C1 (0.47) CYP2C19CYP3A4KCNH2SCN5ASCN9A
SCHEMBL16740063 0.65 BMI1 (0.46) BMI1BRAFKCNH2SCN5ASCN9A
SCHEMBL16740320 0.65 BRAF (0.46) BMI1MEN1KMT2ABRAFKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 EP claimed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO claimed