SCHEMBL7442860

SCHEMBL7442860

Cc1cc(C)c(Nc2cc(N)ncn2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 13/20 0.50
LCK P06239 2/20 0.49
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
SCN9A Q15858 1/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 1/20 0.37

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
SCHEMBL7068369 0.76 RAPGEF4 (0.48) RAPGEF4LCK
SCHEMBL13064955 0.74 CDK5 (0.61) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL1183435 0.74 RAPGEF4 (0.45) RAPGEF4
SCHEMBL29941689 0.73 LCK (0.49) RAPGEF4LCKCDK5KDRLMNA
SCHEMBL31247573 0.73 KDM4E (0.57) LCKCDK1CCNB1CCNA2CCNE1
SCHEMBL14614677 0.73 MKNK2 (0.43) CDK1CCNB1CCNA2CCNE1CDK2
SCHEMBL14954692 0.72 RAPGEF4 (0.52) RAPGEF4LCKCDK5KDRLMNA
SCHEMBL29741837 0.71
SCHEMBL1911881 0.71
SCHEMBL10303879 0.71 RAPGEF4 (0.64) RAPGEF4

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-1149583-A2 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues Pfizer Products Inc. (US) 2001-10-31 EP claimed