SCHEMBL5778459

SCHEMBL5778459

NC(=O)C1=CCNc2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PARP1 P09874 1/20 0.36
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CAMKK2 Q96RR4 1/20 0.35
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 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
SCHEMBL3792409 0.87 SMN1; SMN2 (0.40) CYP1A2SMN1; SMN2CAMKK2KDM4ENPC1
Hydrochloric Acid SCHEMBL5778118 0.85 SMN1; SMN2 (0.39) CYP1A2SMN1; SMN2CAMKK2KDM4ENPC1
SCHEMBL14605213 0.80 MAP2K1 (0.41) CYP1A2SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL27456055 0.79 SMN1; SMN2 (0.35) MKNK1MKNK2CYP1A2SMN1; SMN2CAMKK2
Water SCHEMBL27454951 0.78 SMN1; SMN2 (0.34) MKNK1MKNK2CYP1A2SMN1; SMN2CAMKK2
SCHEMBL25229730 0.77 POLB (0.36) CYP1A2SMN1; SMN2TNKS2
SCHEMBL6648244 0.77 BRD4 (0.42) CYP1A2SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL30239049 0.75 NOS2 (0.37) PARP1CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL31398831 0.74 KDM4E (0.37) MKNK1MKNK2PARP1CAMKK2DDB1
SCHEMBL19791692 0.74 SMN1; SMN2 (0.40) CYP1A2SMN1; SMN2KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
EP-3512849-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2019-07-24 EP disclosed
EP-3481823-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-05-15 EP disclosed
EP-3307741-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 EP disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed