SCHEMBL4079500

SCHEMBL4079500

N#Cc1cccc(CC2CCCc3nc4c(=O)n(Cc5ccc(Cl)cc5)c(=O)[nH]c4nc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 8/20 0.43
GRIN1 Q05586 5/20 0.40
GRIN2B Q13224 5/20 0.40
CCR2 P41597 1/20 0.36
USP2 O75604 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RGS12 O14924 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
P2RX3 P56373 1/20 0.36
ROCK2 O75116 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 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
SCHEMBL4088753 0.75 POLB (0.46) CLPPUSP2KMT2AKDM4EMEN1
SCHEMBL4181990 0.73 CLPP (0.52) CLPPGRIN1GRIN2BCCR2MAPT
SCHEMBL26703806 0.65 CLPP (0.69) CLPPCCR2POLB
SCHEMBL11795456 0.65 ALDH1A1 (0.45) KMT2AALDH1A1ROCK2PSEN1PSEN2
SCHEMBL26707516 0.65 CLPP (0.67) CLPPCCR2MAPTP2RX3
SCHEMBL26704966 0.63 CLPP (0.61) CLPPCCR2KMT2AKDM4EMEN1
SCHEMBL364974 0.60 GRIN1 (0.49) CLPPGRIN1GRIN2BCCR2KMT2A
SCHEMBL22028740 0.60 CLPP (1.00) CLPP
SCHEMBL31547384 0.60 CLPP (1.00) CLPP
SCHEMBL4184996 0.60 KDM4E (0.61) GRIN1GRIN2BUSP2KMT2AKDM4E

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-2009041905-A1 PTERIDINE COMPOUNDS HAVING ACTIVITY ON THE GABA- RECEPTORS ASTRAZENECA AB (SE) 2009-04-02 WO claimed