SCHEMBL8285198

SCHEMBL8285198

Cc1cc(NC2CCCC2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.45
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
NR2F2 P24468 1/20 0.42
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADORA3 P0DMS8 8/20 0.38
ADORA1 P30542 7/20 0.38
ADORA2A P29274 6/20 0.38
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36

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
SCHEMBL8285238 0.86 PDE11A (0.49) PDE11ARAB9AMEN1NPC1KMT2A
SCHEMBL8285251 0.85 PDE11A (0.48) PDE11ARAB9AMEN1NPC1KMT2A
SCHEMBL8287830 0.84 PDE11A (0.48) PDE11ARAB9AMEN1NPC1KMT2A
SCHEMBL8286406 0.83 PDE11A (0.44) PDE11AKDM4EGAAALDH1A1MAPK1
SCHEMBL8286427 0.83 RAB9A (0.51) PDE11ARAB9ANPC1KDM4EALDH1A1
SCHEMBL8361760 0.82 RAB9A (0.41) RAB9AMEN1NPC1KMT2ANR2F2
SCHEMBL8287919 0.82 ALDH1A1 (0.41) PDE11ARAB9AMEN1NPC1KMT2A
SCHEMBL8287435 0.81 KDM4E (0.39) PDE11ARAB9AKDM4EGAAALDH1A1
SCHEMBL8361763 0.81 PDE11A (0.41) PDE11AMEN1KMT2AKDM4EGAA
SCHEMBL8285163 0.81 POLB (0.50) PDE11ARAB9AMEN1NPC1KMT2A

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-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed