SCHEMBL9037166

SCHEMBL9037166

O=c1[nH]c2ccc(Br)cc2n2nnnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.38
HAVCR2 Q8TDQ0 1/20 0.37
ADORA3 P0DMS8 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AKT2 P31751 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL8797747 0.80 POLB (0.55) POLBADORA3KDM4EMAPTHPGD
SCHEMBL9040060 0.78 GRIA1 (0.50) ADORA3ALDH1A1
SCHEMBL9036984 0.76 GRIA1 (0.56) KDM4ETSHRHSD17B10MAPTHPGD
SCHEMBL9038023 0.71 GRIA1 (0.50) TSHRMAPTHPGD
SCHEMBL25822706 0.71 GRIA1 (0.61) TP53
SCHEMBL9037382 0.70 GRIA1 (0.50) ADORA3ALDH1A1MEN1KMT2A
SCHEMBL30661677 0.69 HAVCR2 (0.39) TP53HAVCR2ADORA3HPGDAKT2
SCHEMBL22045231 0.68 AURKA (0.44) POLBTP53ADORA3KDM4EHSD17B10
SCHEMBL9368648 0.67 DAO (0.44) TP53HSD17B10ALDH1A1KMT2AAKT2
SCHEMBL21848191 0.67 GRIA1 (0.56) TP53HPGDAKT2CLK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed