SCHEMBL2908844

SCHEMBL2908844

COCc1c(N)ccc2c1CCCC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KIF11 P52732 1/20 0.35
BRD4 O60885 2/20 0.33
CRBN Q96SW2 1/20 0.32
PARP1 P09874 1/20 0.32
CA9 Q16790 1/20 0.32
PKM P14618 1/20 0.32
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL2061572 0.81 MAPT (0.41) MAPTKIF11BRD4CRBNPARP1
SCHEMBL2915388 0.75 ALDH1A1 (0.34) MAPTCRBNPARP1
SCHEMBL2916256 0.68 DRD2 (0.37) MAPTKIF11BRD4MAOAMAOB
SCHEMBL16132462 0.67 MAPT (0.46) MAPTKIF11CRBNPKMMEN1
SCHEMBL11664846 0.67 KDM4E (0.37) MAPTMEN1TSHRKMT2A
SCHEMBL2061413 0.67 ALDH1A1 (0.40) MAPTCRBNPARP1MEN1RAB9A
SCHEMBL885653 0.66 MAPT (0.49) MAPTBRD4CRBNPARP1TSHR
SCHEMBL16110420 0.65 MAPT (0.43) MAPTKIF11CRBNPKMMEN1
SCHEMBL8523665 0.64 MAPT (0.55) MAPTKIF11BRD4CRBNPARP1
SCHEMBL2062581 0.64 CHEK1 (0.38) MAPTKIF11PKM

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-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed