SCHEMBL15058636

SCHEMBL15058636

O=C1CCCc2cnc(Nc3cccc(Cl)c3)nc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.67
MAOB P27338 4/20 0.67
MAOA P21397 2/20 0.67
SYK P43405 1/20 0.50
CCNA2 P20248 4/20 0.48
CDK2 P24941 4/20 0.48
CDK5 Q00535 3/20 0.48
CDK5R1 Q15078 3/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNT1 O60563 1/20 0.48
CCNE1 P24864 1/20 0.48
CCND3 P30281 1/20 0.48
FLT3 P36888 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 1/20 0.48
PLK1 P53350 3/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
PRKCA P17252 1/20 0.46

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
SCHEMBL11297563 0.84 GRM5 (0.65) GRM5MAOBMAOASYKCCNA2
SCHEMBL9955475 0.81 GRM5 (1.00) GRM5MAOBMAOASYKCCNA2
SCHEMBL9960032 0.80 GRM5 (1.00) GRM5MAOBMAOASYKCCNA2
SCHEMBL23657061 0.78 GRM5 (0.95) GRM5MAOBMAOASYKCCNA2
SCHEMBL7238444 0.73 FYN (0.58) GRM5MAOBCCNA2CDK2CDK5
SCHEMBL15058984 0.73 GRM5 (0.53) GRM5MAOBMAOASYKCCNA2
SCHEMBL1185063 0.72 PLK1 (0.86) PLK1
SCHEMBL11294777 0.71 IKBKB (0.38) GRM5MAOBMAOACCNA2CDK2
SCHEMBL13439675 0.71 IKBKB (0.61) GRM5MAOBCCNA2CDK2CDK5
SCHEMBL9958935 0.71 GRM5 (0.70) GRM5MAOBMAOASYKCCNA2

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
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed