SCHEMBL10247841

SCHEMBL10247841

CC(C)(C)c1cnc(NCCO)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
GAA P10253 3/20 0.33
BRS3 P32247 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5173646 0.77 POLB (0.40) POLBPKMALDH1A1CSNK2A2CSNK2B
SCHEMBL10195123 0.72 POLB (0.41) POLBPKMALDH1A1CSNK2A2CSNK2B
SCHEMBL22328207 0.72
SCHEMBL5154027 0.67 CYP1A2 (0.43) POLBPKMALDH1A1CHUKKDM4E
SCHEMBL24104406 0.66 GAA (0.43) POLBALDH1A1GAAKDM4EMAPK1
SCHEMBL5382994 0.66 POLB (0.44) POLBPKMALDH1A1CSNK2A2CSNK2B
SCHEMBL16865834 0.65 BRS3 (0.33) BRS3
SCHEMBL12436060 0.62 POLB (0.37) POLBPKMALDH1A1CSNK2A2CSNK2B
SCHEMBL14349627 0.62 RAB9A (0.43) POLBALDH1A1GAAKDM4EMEN1
SCHEMBL5156890 0.62 CYP2D6 (0.39) POLBPKMALDH1A1CSNK2A2CSNK2B

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
US-8101611-B2 Substituted pyridazines inhibitors of MEK ARRAY BIOPHARMA INC. (US) 2012-01-24 US disclosed