SCHEMBL3367658

SCHEMBL3367658

CN(C)c1ccc2nc(C(=O)Nc3cc(F)ccc3F)cn2c1.CN(C)c1ccc2nc(C(=O)Nc3cccc(F)c3)cn2c1.CN(C)c1ccc2nc(C(=O)Nc3cccc(F)c3F)cn2c1.CN(C)c1ccc2nc(C(=O)Nc3ccccc3F)cn2c1.NC(=O)c1ccc2nc(C(=O)Nc3ccccc3)cn2c1.O=C(Nc1cccc(F)c1)c1cn2cc(-c3cccc(CO)c3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.40
ROCK2 O75116 1/20 0.37
NR4A2 P43354 3/20 0.36
CYP2C9 P11712 2/20 0.36
KCNH2 Q12809 1/20 0.36
DGAT1 O75907 2/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
TP53 P04637 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
SCHEMBL3365498 0.91 ROCK2 (0.38) EGLN1ROCK2NR4A2CYP2C9TP53
SCHEMBL3366289 0.79 EGLN1 (0.56) EGLN1NR4A2CYP2C9KCNH2DGAT1
SCHEMBL3368247 0.78 EGLN1 (0.52) EGLN1NR4A2CYP2C9KCNH2
SCHEMBL3368085 0.77 EGLN1 (0.53) EGLN1NR4A2CYP2C9KCNH2
SCHEMBL3367431 0.77 EGLN1 (0.61) EGLN1NR4A2CYP2C9KCNH2DGAT1
SCHEMBL3368804 0.74 NR4A2 (0.60) EGLN1NR4A2CYP2C9KCNH2DGAT1
SCHEMBL3368030 0.73 NR4A2 (0.61) EGLN1NR4A2CYP2C9KCNH2DGAT1
SCHEMBL3367445 0.72 APP (0.45) EGLN1TP53
SCHEMBL3365504 0.72 EGLN1 (0.48) EGLN1NR4A2CYP2C9
SCHEMBL3368576 0.72 NPC1 (0.42) EGLN1NR4A2CYP2C9

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
EP-2041133-B1 DERIVATIVES OF IMIDAZO [1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-13 EP claimed