SCHEMBL8446396

SCHEMBL8446396

Nc1nc(C(=O)c2ccccc2)nc2[nH]c(C(=O)c3ccccc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.39
CDK2 P24941 6/20 0.39
ABL1 P00519 1/20 0.39
FABP6 P51161 1/20 0.39
CDK5 Q00535 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CDK5R1 Q15078 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
MAPK14 Q16539 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.35
PBRM1 Q86U86 1/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 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
SCHEMBL7264350 0.82 CCNA2 (0.38) CCNA2CDK2ABL1FABP6CDK5
SCHEMBL29108590 0.78 ADORA2A (0.46) MAPTRAB9AALDH1A1HPGDMEN1
SCHEMBL8930240 0.77 ABL1 (0.39) CCNA2CDK2ABL1FABP6CDK5
SCHEMBL28489651 0.70 ALDH1A1 (0.65) MAPTNPC1RAB9AMAPK14TDP1
SCHEMBL7088783 0.69 ALDH1A1 (0.52) CCNA2CDK2ABL1FABP6MAPT
SCHEMBL134274 0.68 ALDH1A1 (0.62) MAPTNPC1RAB9AMAPK14TDP1
SCHEMBL5651223 0.66 MAPT (0.46) CCNA2CDK2CDK5MAPTNPC1
SCHEMBL17279756 0.65 ALDH1A1 (0.46) ABL1FABP6MAPTRAB9ATDP1
SCHEMBL7161088 0.65 CCNA2 (0.35) CCNA2CDK2ABL1FABP6CDK5
SCHEMBL5694214 0.65 ABL1 (0.38) CCNA2CDK2ABL1FABP6CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO claimed
JP-60199899-A None JP disclosed
EP-0705264-B1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMA INC (US) 1999-04-07 EP disclosed
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO disclosed
WO-1995000515-A1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO disclosed
JP-S60199899-A NUCLEOSIDE 3'-PHOSPHOTRIESTER DERIVATIVE FUJIREBIO INC 1985-10-09 JP disclosed