SCHEMBL9687124

SCHEMBL9687124

CCOC(=O)c1cn(C(C)(C)C)c2nc(N3C[C@H]4C[C@@H]3CN4)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
ATP6V1B2 P21281 1/20 0.38
TBXA2R P21731 1/20 0.38
EDNRA P25101 1/20 0.38
TARBP2 Q15633 1/20 0.38
KMT2A Q03164 2/20 0.37
MCHR2 Q969V1 1/20 0.35
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
DPP4 P27487 4/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
DRD1 P21728 1/20 0.35
STAT3 P40763 1/20 0.35
NTRK1 P04629 1/20 0.34
MAP4K1 Q92918 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
SCHEMBL31289391 0.89 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10073771 0.89 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686534 0.89 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9129484 0.89 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2095402 0.82 LMNA (0.41) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686415 0.81 DPP4 (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686661 0.81 DPP4 (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2091973 0.79 GNRHR (0.40) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9685446 0.79 JAK2 (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2093691 0.79 LMNA (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed