SCHEMBL16739554

SCHEMBL16739554

Cc1cc2nc(C)n(-c3cccc(Nc4ccc(C(F)(F)F)cc4)n3)c2cc1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BMI1 P35226 9/20 0.49
DHODH Q02127 1/20 0.43
AGPAT2 O15120 1/20 0.38
GRM5 P41594 1/20 0.36
SOS1 Q07889 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL16747855 0.90 BMI1 (0.51) BMI1DHODHAGPAT2GRM5KCNH3
SCHEMBL16747853 0.87 BMI1 (0.66) BMI1DHODH
SCHEMBL16739733 0.86 BMI1 (0.65) BMI1DHODHKCNH3
SCHEMBL16739765 0.86 BMI1 (0.53) BMI1DHODHAGPAT2SOS1
SCHEMBL16748005 0.83 BMI1 (0.46) BMI1DHODHAGPAT2SOS1
SCHEMBL15747577 0.79 BMI1 (0.53) BMI1DHODHAGPAT2SOS1
SCHEMBL16739935 0.79 BMI1 (0.46) BMI1DHODHGRM5
SCHEMBL18100922 0.79 BMI1 (0.53) BMI1DHODHAGPAT2
SCHEMBL16740143 0.78 BMI1 (0.43) BMI1
SCHEMBL16747852 0.77 DHFR (0.43) BMI1

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 disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO disclosed