SCHEMBL3365498

SCHEMBL3365498

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.NC(=O)c1ccc2nc(C(=O)Nc3ccccc3)cn2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPK14 Q16539 1/20 0.38
CYP2C9 P11712 1/20 0.37
NR4A2 P43354 1/20 0.37
KCNK3 O14649 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
BACE1 P56817 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL3367658 0.91 EGLN1 (0.40) ROCK2CYP2C9NR4A2EGLN1TP53
SCHEMBL3365504 0.80 EGLN1 (0.48) NPC1RAB9ACYP2C9NR4A2KCNK3
SCHEMBL3368576 0.80 NPC1 (0.42) NPC1RAB9ACYP2C9NR4A2EGLN1
SCHEMBL3367445 0.80 APP (0.45) EGLN1HPGDSMN1; SMN2MAPTTP53
SCHEMBL3369710 0.76 SMN1; SMN2 (0.46) NPC1RAB9ACYP2C9NR4A2HPGD
SCHEMBL3367363 0.74 NPC1 (0.65) ROCK2NPC1RAB9ACYP2C9NR4A2
SCHEMBL3365520 0.74 NPC1 (0.65) NPC1RAB9ACYP2C9NR4A2KCNK3
SCHEMBL3367620 0.73 APP (0.45) NPC1RAB9AEGLN1
SCHEMBL3368584 0.72 RIPK1 (0.41) NPC1RAB9ANR4A2EGLN1SMN1; SMN2
SCHEMBL2433011 0.72 NPC1 (0.53) NPC1RAB9ACYP2C9NR4A2KCNK3

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