SCHEMBL24036636

SCHEMBL24036636

c1ccc(-c2cccc3c2[nH]c2ccc4ccccc4c23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.74
CCND1 P24385 13/20 0.74
CCNB2 O95067 2/20 0.74
CCNE2 O96020 2/20 0.74
CDK1 P06493 2/20 0.74
CCNB1 P14635 2/20 0.74
CCNE1 P24864 2/20 0.74
CDK2 P24941 2/20 0.74
CCNB3 Q8WWL7 2/20 0.74
FEN1 P39748 1/20 0.43
KIF11 P52732 1/20 0.42
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
LIMK1 P53667 1/20 0.41

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
SCHEMBL24036579 0.91 CDK4 (0.65) CDK4CCND1CCNB2CCNE2CDK1
Biphenyl SCHEMBL7079268 0.83 KIF11 (0.62) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL29143350 0.83 CDK4 (0.65) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL30715243 0.83 CDK4 (0.65) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL24037176 0.83 CDK4 (0.58) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL23945224 0.82 CDK4 (0.71) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL12219437 0.81 KIF11 (0.57) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL18468293 0.81 CDK4 (0.57) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL6523866 0.79 KIF11 (0.66) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL30914258 0.79 KIF11 (0.66) CDK4CCND1CCNB2CCNE2CDK1

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
WO-2021230651-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-11-18 WO disclosed