SCHEMBL17067775

SCHEMBL17067775

Cc1ncc(-c2cncn2C)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.51
HPGDS O60760 1/20 0.47
LDLR P01130 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
S1PR1 P21453 1/20 0.40
GSK3B P49841 6/20 0.38
DYRK1A Q13627 6/20 0.38
LRRK2 Q5S007 1/20 0.38
TTK P33981 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
BDKRB2 P30411 1/20 0.36
KCNH2 Q12809 1/20 0.35
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL6408857 0.72 IDO1 (0.54) IDO1HPGDSLDLRPCSK9S1PR1
SCHEMBL17067728 0.72 ALDH1A1 (0.44) S1PR1CHRNB2CHRNA4BDKRB2KCNH2
SCHEMBL12492587 0.72 IDO1 (0.58) IDO1HPGDSS1PR1GSK3BDYRK1A
SCHEMBL13354411 0.72 IDO1 (0.49) IDO1HPGDSLDLRPCSK9GSK3B
SCHEMBL15875301 0.69 IDO1 (0.64) IDO1HPGDSLDLRPCSK9S1PR1
SCHEMBL26953515 0.69 HPGDS (0.59) IDO1HPGDSLDLRPCSK9GSK3B
SCHEMBL17067678 0.69 JAK2 (0.39) CHRNB2CHRNA4
SCHEMBL14934094 0.68 PDGFRB (0.49) TTK
SCHEMBL14934167 0.68 MKNK1 (0.41) CHRNB2CHRNA4KCNH2
SCHEMBL30039821 0.68 LRRK2 (0.47) IDO1HPGDSS1PR1LRRK2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773631-B1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-09-09 EP disclosed