SCHEMBL7960271

SCHEMBL7960271

CCN(CC)C(=O)c1c(-c2ccc(C)cc2)nn(C)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CHEK2 O96017 4/20 0.36
TSPO P30536 1/20 0.36
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPSE Q9Y251 1/20 0.33
ATR Q13535 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL10140040 0.85 CHEK2 (0.34) BRD4CHEK2TSPOEGFRMEN1
SCHEMBL7970581 0.80 F9 (0.40) BRD4CHEK2MEN1KMT2AHPSE
SCHEMBL20307854 0.80 CA12 (0.39) BRD4CHEK2MEN1KMT2AMAPT
SCHEMBL7973155 0.80 F9 (0.39) BRD4CHEK2EGFRMEN1KMT2A
SCHEMBL7980011 0.79 CHEK2 (0.38) BRD4CHEK2EGFRMEN1KMT2A
SCHEMBL7973947 0.78 CHEK2 (0.36) BRD4CHEK2EGFRMEN1KMT2A
SCHEMBL7973202 0.78 F9 (0.39) BRD4CHEK2MEN1KMT2AHPSE
SCHEMBL20307724 0.77 NPBWR1 (0.36) BRD4CHEK2MEN1KMT2AHPSE
SCHEMBL20307800 0.77 ALOX5 (0.39) BRD4CHEK2MEN1KMT2AMAPT
SCHEMBL7960714 0.76 CHEK2 (0.39) CHEK2

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
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed