SCHEMBL31014281

SCHEMBL31014281

O=c1[nH]nc(-c2ccccc2)c2cc(Br)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.67
ATM Q13315 1/20 0.67
DCLK1 O15075 1/20 0.64
PRKD3 O94806 1/20 0.64
MAP4K4 O95819 1/20 0.64
CHEK2 O96017 1/20 0.64
CSF1R P07333 1/20 0.64
FER P16591 1/20 0.64
CDK2 P24941 1/20 0.64
MARK3 P27448 1/20 0.64
FLT4 P35916 1/20 0.64
FLT3 P36888 1/20 0.64
MAPK9 P45984 1/20 0.64
CSNK1D P48730 1/20 0.64
CLK2 P49760 1/20 0.64
CSNK2A1 P68400 1/20 0.64
CSNK1G2 P78368 1/20 0.64
MAP4K2 Q12851 1/20 0.64
STK3 Q13188 1/20 0.64
CAMK2B Q13554 1/20 0.64

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
SCHEMBL31014287 0.83 NPSR1 (0.71) NPSR1ATMKDM4EPRMT5WDR77
SCHEMBL1791310 0.81 ATM (0.73) NPSR1ATMKDM4EPKMALDH1A1
SCHEMBL31014290 0.81 ATM (0.73) NPSR1ATMKDM4EPKMALDH1A1
SCHEMBL1789828 0.81 GSK3A (0.52) CDK2DYRK1AKDM4EPRMT5WDR77
SCHEMBL29870198 0.81 NPSR1 (1.00) NPSR1ATMKDM4EALDH1A1GAA
SCHEMBL581143 0.81 NPSR1 (1.00) NPSR1ATMKDM4EALDH1A1GAA
SCHEMBL1785622 0.81 NPSR1 (0.67) NPSR1ATMKDM4EPRMT5ALDH1A1
SCHEMBL31014284 0.81 NPSR1 (0.67) NPSR1ATMKDM4EPRMT5ALDH1A1
SCHEMBL31014277 0.81 NPSR1 (0.67) NPSR1ATMCSF1RKDM4EPRMT5
SCHEMBL1362524 0.78 CDK2 (0.75) DCLK1PRKD3MAP4K4CHEK2CSF1R

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
CN-118496166-A Preparation method of phthalazinone compound 五邑大学 2024-08-16 CN claimed
CN-118496166-A Preparation method of phthalazinone compound 五邑大学 2024-08-16 CN disclosed