SCHEMBL14764356

SCHEMBL14764356

COc1cc(Br)cc2nc(Cl)c(C)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 8/20 0.62
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PRNP P04156 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PDE10A Q9Y233 4/20 0.40
PGK1 P00558 3/20 0.38
PDE2A O00408 1/20 0.37
PDE5A O76074 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
APP P05067 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL14764559 0.94 NQO2 (0.62) NQO2MAPTALDH1A1PRNPNPSR1
SCHEMBL16052663 0.83 NQO2 (0.41) NQO2MAPTALDH1A1PRNPNPSR1
SCHEMBL16052257 0.81 PDE2A (0.40) NQO2PDE10APGK1PDE2APDE5A
SCHEMBL14764508 0.77 NQO2 (0.57) NQO2MAPTALDH1A1PRNPNPSR1
SCHEMBL16052383 0.75 CSNK2A1 (0.45) MAPTALDH1A1PGK1LMNAPOLB
SCHEMBL26547646 0.74 NQO2 (0.50) NQO2MAPTALDH1A1PRNPNPSR1
SCHEMBL14771501 0.74 NQO2 (0.57) NQO2MAPTALDH1A1PRNPNPSR1
SCHEMBL14764458 0.73 NQO2 (0.61) NQO2MAPTALDH1A1LMNANPC1
SCHEMBL16167165 0.69 NQO2 (0.44) NQO2MAPTALDH1A1PRNPNPSR1
SCHEMBL17942634 0.69 NPSR1 (0.57) NQO2MAPTALDH1A1PRNPNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014139983-A1 [1,2,4]TRIAZOLO[4,3-A]QUINOXALINES AS DUAL PDE2/PDE10 INHIBITORS H. LUNDBECK A/S (DK) 2014-09-18 WO disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed