SCHEMBL9954482

SCHEMBL9954482

CN(C)Cc1cccc(-n2c(NC#N)nc3ccc(Br)cc3c2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE7A Q13946 1/20 0.36
HPD P32754 2/20 0.35
AVPR1B P47901 2/20 0.35
PIK3CD O00329 1/20 0.35
LMNA P02545 1/20 0.35
PIK3R1 P27986 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL10289023 0.82 SMN1; SMN2 (0.49) CCKBRMAPTALDH1A1HPDSMN1; SMN2
SCHEMBL9955086 0.82 CCKBR (0.43) CCKBRIDO1TDO2IDO2MAPT
SCHEMBL9952861 0.77 TDO2 (0.46) TDO2IDO2MAPTATMALDH1A1
SCHEMBL9954435 0.76 POLB (0.47) IDO1TDO2IDO2MAPTATM
SCHEMBL9953670 0.76 ALDH1A1 (0.44) MAPTATMALDH1A1HPDLMNA
SCHEMBL9953155 0.71 ATM (0.48) CCKBRIDO1TDO2IDO2MAPT
SCHEMBL31241102 0.71 CACNA2D1 (0.42) MAPTATMALDH1A1
SCHEMBL9955108 0.71 MEN1 (0.40) ATMALDH1A1SMN1; SMN2
SCHEMBL24090098 0.70 TDO2 (0.49) IDO1TDO2IDO2ALDH1A1
SCHEMBL24090011 0.70 ACP1 (0.50) CCKBRAVPR1B

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
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed