SCHEMBL3714977

SCHEMBL3714977

Nc1ccc2ccncc2c1Br

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.72
AXL P30530 1/20 0.53
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
RAD52 P43351 1/20 0.46
EP300 Q09472 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK10 P53779 2/20 0.41
PRKCZ Q05513 1/20 0.38
TNF P01375 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
SCHEMBL252216 0.84 IMPDH2 (1.00) IMPDH2AXLCLK1DYRK1AKDM4E
SCHEMBL15058583 0.76 IMPDH2 (0.43) IMPDH2AXLCLK1DYRK1AKDM4E
SCHEMBL27040501 0.76 IMPDH2 (0.43) IMPDH2AXLCLK1DYRK1AKDM4E
SCHEMBL21050856 0.76 IMPDH2 (0.43) IMPDH2AXLCLK1DYRK1AKDM4E
SCHEMBL29751463 0.76 IMPDH2 (0.43) IMPDH2AXLCLK1DYRK1AKDM4E
SCHEMBL10921238 0.76 IMPDH2 (0.72) IMPDH2AXLCLK1DYRK1AKDM4E
SCHEMBL3240722 0.76 POLB (0.53) IMPDH2AXLCLK1DYRK1AKDM4E
SCHEMBL30709993 0.76 IMPDH2 (0.43) IMPDH2AXLCLK1DYRK1AKDM4E
SCHEMBL29569821 0.75 CLK1 (0.54) IMPDH2CLK1DYRK1AKDM4EPOLB
SCHEMBL672509 0.75 CLK1 (0.54) IMPDH2CLK1DYRK1AKDM4EPOLB

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed