SCHEMBL4599571

SCHEMBL4599571

Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CCC(c1ccccc1)N3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
SPR P35270 3/20 0.38
RIPK1 Q13546 3/20 0.37
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.34
F2RL1 P55085 1/20 0.34
HTT P42858 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
SCHEMBL4599450 1.00 CYP3A4 (0.60) CYP3A4CYP2C9SPRRIPK1KMT2A
SCHEMBL4599316 0.92 CYP3A4 (0.57) CYP3A4CYP2C9SPRKMT2AALDH1A1
SCHEMBL4600155 0.92 CYP3A4 (0.57) CYP3A4CYP2C9SPRKMT2AALDH1A1
SCHEMBL4599502 0.89 CYP3A4 (0.65) CYP3A4CYP2C9SPRRIPK1ALDH1A1
SCHEMBL4600864 0.89 CYP3A4 (0.65) CYP3A4CYP2C9SPRRIPK1ALDH1A1
SCHEMBL4599840 0.87 CYP3A4 (0.63) CYP3A4CYP2C9NPC1TSHRRAB9A
SCHEMBL4601254 0.87 CYP3A4 (0.63) CYP3A4CYP2C9NPC1TSHRRAB9A
SCHEMBL4601741 0.87 CYP3A4 (0.63) CYP3A4CYP2C9NPC1TSHRRAB9A
SCHEMBL4611951 0.87 CYP2C9 (0.59) CYP3A4CYP2C9SPRKMT2AALDH1A1
Dimethylamine SCHEMBL4613323 0.86 CYP3A4 (0.62) CYP3A4CYP2C9RIPK1ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718648-B1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF NYCOMED GMBH (DE) 2008-04-23 EP claimed
EP-1718648-B1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF NYCOMED GMBH (DE) 2008-04-23 EP disclosed
EP-1718648-A1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF Altana Pharma AG (DE) 2006-11-08 EP disclosed
WO-2005077949-A1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF ALTANA PHARMA AG (DE) 2005-08-25 WO disclosed