SCHEMBL7488303

SCHEMBL7488303

Nc1ccc(Sc2ccnc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
NCF1 P14598 1/20 0.50
DHFR P00374 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PLK4 O00444 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
DNMT1 P26358 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
PDE7A Q13946 1/20 0.39
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL4371190 0.83 MEN1 (0.43) KDM1ANCF1DHFRLOXL2SLC22A12
SCHEMBL27306674 0.83 NCF1 (0.46) NCF1DHFRLOXL2SLC22A12HTR1A
SCHEMBL8560845 0.80 NCF1 (0.42) NCF1LOXL2MAPK1SLC22A12CYP2C9
SCHEMBL2210593 0.79 DHFR (0.43) KDM1ANCF1DHFRCYP3A4TSHR
SCHEMBL7488299 0.78 NCF1 (0.56) NCF1LOXL2CYP3A4SLC22A12CYP2C9
SCHEMBL13239525 0.77 HPGD (0.53) SLC22A12DNMT1HPGDPDE7ASMN1; SMN2
SCHEMBL8563075 0.77 MAPT (0.52) DHFRCYP3A4MAPK1CYP2C9CYP2C19
SCHEMBL8565612 0.75 MEN1 (0.48) NCF1DHFRPLK4SLC22A12PDE7A
SCHEMBL829690 0.74 KDM1A (0.59) KDM1ADHFRCYP3A4TSHRMAPK1
SCHEMBL5050795 0.73 PDGFRA (0.61) KDR

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
EP-0860433-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BREWERY (JP) 2002-07-03 EP disclosed
US-6143764-A ETHER DERIVATIVES OF QUINOLINE, ANTITUMOR AGENTS KIRIN BEER KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
EP-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 EP disclosed
US-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed