SCHEMBL29720347

SCHEMBL29720347

CCc1nc(N)nc2nc[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.60
PDPK1 O15530 1/20 0.59
GDA Q9Y2T3 1/20 0.59
CDK1 P06493 14/20 0.58
CCNB1 P14635 14/20 0.58
CDK2 P24941 13/20 0.58
CCNA2 P20248 12/20 0.58
CCNA1 P78396 12/20 0.58
PIN1 Q13526 1/20 0.56
DPP4 P27487 1/20 0.56
MGMT P16455 4/20 0.51

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
SCHEMBL27870406 0.84 PDPK1 (0.61) MAP3K5PDPK1GDACDK1CCNB1
SCHEMBL31642104 0.82 PDPK1 (0.59) MAP3K5PDPK1GDACDK1CCNB1
SCHEMBL14461781 0.80 CDK2 (0.46) MAP3K5PDPK1GDACDK1CCNB1
SCHEMBL7668710 0.79 PDPK1 (0.56) MAP3K5PDPK1GDACDK1CCNB1
SCHEMBL4455870 0.79 CDK2 (0.62) MAP3K5PDPK1GDACDK1CCNB1
SCHEMBL16145906 0.79 CDK2 (0.45) MAP3K5PDPK1GDACDK1CCNB1
SCHEMBL16146291 0.79 CDK2 (0.45) MAP3K5PDPK1GDACDK1CCNB1
SCHEMBL28004445 0.79 CDK2 (0.45) MAP3K5PDPK1GDACDK1CCNB1
SCHEMBL16146535 0.79 XDH (0.56) MAP3K5CDK1CCNB1CDK2CCNA2
SCHEMBL16146634 0.79 CDK2 (0.45) MAP3K5PDPK1GDACDK1CCNB1

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-2022154020-A1 POLYIMIDE PRECURSOR RESIN COMPOSITION AND METHOD FOR MANUFACTURING SAME 旭化成株式会社 2022-07-21 WO disclosed