SCHEMBL8636728

SCHEMBL8636728

C=CCc1c[nH]nc1NCCCCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
GPR84 Q9NQS5 6/20 0.34
S1PR2 O95136 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
UTS2R Q9UKP6 2/20 0.33
MMP3 P08254 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CASP6 P55212 1/20 0.32
SLC29A1 Q99808 2/20 0.31

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
SCHEMBL7642093 0.73 GPR84 (0.39) CCNB2CDK1CCNB1CCNB3GPR84
SCHEMBL28169161 0.71 THRB (0.35)
SCHEMBL9886389 0.70
SCHEMBL3263464 0.69 TLR8 (0.48) S1PR2LMNASMN1; SMN2NPSR1TLR8
SCHEMBL11565010 0.68 ADRA2B (0.45) S1PR2LMNASMN1; SMN2NPSR1TLR8
SCHEMBL5134041 0.67 GAA (0.39) GPR84SMN1; SMN2NPSR1
SCHEMBL7250143 0.67
SCHEMBL6693838 0.65 HCAR3 (0.38) S1PR2LMNASMN1; SMN2NPSR1TLR8
SCHEMBL1919423 0.64
SCHEMBL11565013 0.64 ABL1 (0.43) SMN1; SMN2

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
JP-10029980-A None JP disclosed
JP-H1029980-A PRODUCTION OF 4-ALKYL-3-AMINOPYRAZOLE COMPOUND AND INTERMEDIATE FOR SYNTHESIZING THE SAME FUJI PHOTO FILM CO LTD 1998-02-03 JP disclosed