SCHEMBL4693142

SCHEMBL4693142

Cc1[c][nH]c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
KIF11 P52732 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.38
PARP1 P09874 1/20 0.38
TDO2 P48775 4/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAP2K4 P45985 1/20 0.36

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
SCHEMBL699788 0.84 KIF11 (0.44) KIF11GPR84KMT2AKDM4EKEAP1
SCHEMBL699552 0.74 TNKS2 (0.44) KIF11MEN1KMT2AKDM4ETDO2
SCHEMBL546371 0.70 CYP1A2 (0.42) DAOKIF11MEN1KMT2AKDM4E
SCHEMBL316411 0.67 ALDH1A1 (0.41) KIF11MEN1KMT2AKDM4EKEAP1
SCHEMBL209219 0.67 DAO (0.48) DAOCDK2GPR84MEN1KMT2A
SCHEMBL1517851 0.66 KIF11 (0.61) DAOKIF11CCNB2CDK1CCNB1
SCHEMBL29507671 0.66 KIF11 (0.61) DAOKIF11CCNB2CDK1CCNB1
SCHEMBL23369904 0.65 KIF11 (0.82) DAOKIF11CCNB2CDK1CCNB1
SCHEMBL19481419 0.65 AHR (0.52) DAOKIF11CCNB2CDK1CCNB1
SCHEMBL4031293 0.65 GPR84 (0.58) GPR84TDO2HTR2A

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
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed