SCHEMBL9775877

SCHEMBL9775877

CCOC(=O)c1cn(C2CC2)c2nc3c(F)c(N4CCNCC4)c(F)cc3cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
ATP6V1B2 P21281 1/20 0.42
TBXA2R P21731 1/20 0.42
EDNRA P25101 1/20 0.42
TARBP2 Q15633 1/20 0.42
DYRK1A Q13627 1/20 0.41
POLB P06746 1/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39
CLK2 P49760 1/20 0.39

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
SCHEMBL9775934 0.91 KMT2A (0.46) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9775893 0.91 KDM4E (0.51) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8941950 0.88 ADRB2 (0.44) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9775898 0.88 LMNA (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9775904 0.87 LMNA (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9775925 0.87 TOP2A (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7230077 0.87 ADRB2 (0.50) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9786129 0.86 DPP4 (0.44) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9775972 0.86 LMNA (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9775927 0.85 LMNA (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA

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
US-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed