SCHEMBL367642

SCHEMBL367642

CC(Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2=O)c2nc(C(=O)NCc3ccc(F)cc3)c(OCc3ccccc3)c(=O)n2c1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
YAP1 P46937 3/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE7A Q13946 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR9 Q9NR96 1/20 0.34
S1PR3 Q99500 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
SCHEMBL367841 0.87 TP53 (0.39) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL367968 0.87 TP53 (0.42) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL15092108 0.86 TP53 (0.40) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL368701 0.86 TP53 (0.40) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL367643 0.86 TP53 (0.39) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL367233 0.85 TP53 (0.39) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL368957 0.83 TP53 (0.38) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL15101329 0.78 ENPP2 (0.39) TP53LMNACYP2C9CYP2C19HTR2A
SCHEMBL10070053 0.78 SMN1; SMN2 (0.42) TP53LMNACYP3A4CYP2C9CYP2C19
SCHEMBL369125 0.78 PRMT5 (0.41) YAP1CYP2D6CYP2C9PDE4BPDE7A

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-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 EP disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO disclosed