SCHEMBL9575197

SCHEMBL9575197

Nc1ncnc2[nH][nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.39
RET P07949 4/20 0.36
LRRK2 Q5S007 3/20 0.36
PI4KA P42356 3/20 0.36
PI4K2B Q8TCG2 3/20 0.36
PI4K2A Q9BTU6 3/20 0.36
PI4KB Q9UBF8 3/20 0.36
XDH P47989 2/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LIMK1 P53667 3/20 0.35
DAPK3 O43293 3/20 0.35
PRKD3 O94806 3/20 0.35
MAP4K4 O95819 3/20 0.35
KDR P35968 3/20 0.35
CSNK1A1 P48729 3/20 0.35
RPS6KA3 P51812 3/20 0.35
CDK5 Q00535 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
AURKB Q96GD4 3/20 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
SCHEMBL18897049 0.67 ALDH1A1 (0.50) ALDH1A1KDRAURKBCHEK1PIM1
SCHEMBL28508442 0.64 RET (0.43) RETLRRK2PI4KAPI4K2BPI4K2A
SCHEMBL21362197 0.63 ATG7 (0.39) RETLRRK2PI4KAPI4K2BPI4K2A
SCHEMBL21362233 0.63 DYRK1A (0.43) RETLRRK2PI4KAPI4K2BPI4K2A
SCHEMBL14736182 0.63 CHEK1 (0.51) RETLRRK2PI4KAPI4K2BPI4K2A
SCHEMBL18152242 0.63 AURKA (0.41) RETLRRK2LIMK1DAPK3MAP4K4
SCHEMBL5805420 0.62 RET (0.43) RETLRRK2PI4KAPI4K2BPI4K2A
SCHEMBL48258 0.61 ERAP1 (0.61) RETLRRK2PI4KAPI4K2BPI4K2A
SCHEMBL14647390 0.61 RET (0.41) RETLRRK2PI4KAPI4K2BPI4K2A
SCHEMBL6531144 0.61 RET (0.42) RETLRRK2PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5310742-A None JP disclosed
JP-2016968-A None JP disclosed
JP-H05310742-A NEW SUBSTANCE ACARON AND ITS USE KAIYO BIO TECHNOL KENKYUSHO:KK 1993-11-22 JP disclosed
JP-H0216968-A RIBOFLAVIN-OVERPRODUCING STRAIN ADOLPH COORS CO 1990-01-19 JP disclosed