SCHEMBL9686438

SCHEMBL9686438

O=C(O)c1cn(C2CC2)c2nc(N3CCNC(c4ccccc4)C3)c(F)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.68
CHRM2 P08172 1/20 0.52
DRD1 P21728 1/20 0.52
LMNA P02545 3/20 0.49
CYP2C9 P11712 2/20 0.49
ATP6V1B2 P21281 1/20 0.49
TBXA2R P21731 1/20 0.49
EDNRA P25101 1/20 0.49
TARBP2 Q15633 1/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
ABCC4 O15439 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
TOP2A P11388 1/20 0.49
TOP2B Q02880 1/20 0.49
POLB P06746 1/20 0.48
PRKD3 O94806 1/20 0.48

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
SCHEMBL9685613 0.94 DPP4 (0.68) DPP4CHRM2DRD1LMNACYP2C9
SCHEMBL9687439 0.90 DPP4 (0.54) DPP4CHRM2DRD1LMNACYP2C9
SCHEMBL9686444 0.89 DPP4 (0.54) DPP4CHRM2DRD1LMNACYP2C9
SCHEMBL9687753 0.87 KDM4E (0.63) DPP4CHRM2DRD1LMNACYP2C9
SCHEMBL9786140 0.86 DPP4 (0.53) DPP4CHRM2DRD1LMNACYP2C9
SCHEMBL9686960 0.85 LMNA (0.51) DPP4CHRM2DRD1LMNACYP2C9
SCHEMBL9786150 0.85 DPP4 (0.54) DPP4CHRM2DRD1LMNACYP2C9
SCHEMBL5086550 0.84 DPP4 (0.48) DPP4CHRM2DRD1LMNACYP2C9
SCHEMBL311935 0.83 LMNA (0.68) DPP4CHRM2DRD1LMNACYP2C9
SCHEMBL9685621 0.83 DPP4 (0.55) DPP4CHRM2DRD1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1003236-B Preparation method of 6, 7-disubstituted-1-cyclopropyl-1, 4-dihydro-4-oxo-1, 8-naphthyridine-3-carboxylic acid 拜尔公司 1989-02-08 CN claimed
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 EP disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP disclosed
CN-86100126-A 6, the two replacement-1-cyclopropyl of 7--1,4 dihydro-4-oxo-1, the preparation method and the application thereof of 8-naphthyridines-3-carboxylic acid 1986-07-09 CN disclosed