SCHEMBL30518552

SCHEMBL30518552

CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3ccccc3)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 10/20 0.60
CDK12 Q9NYV4 10/20 0.60
CDK2 P24941 7/20 0.59
CCNE1 P24864 6/20 0.59
CCNE2 O96020 3/20 0.59
CCNA2 P20248 2/20 0.59
CCNA1 P78396 2/20 0.59
CDK9 P50750 1/20 0.56
CDK1 P06493 5/20 0.54
CCNB1 P14635 4/20 0.54
CDK5 Q00535 2/20 0.54
CCNB2 O95067 1/20 0.54
CDK5R1 Q15078 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CDK4 P11802 3/20 0.53
CCND1 P24385 3/20 0.53

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
SCHEMBL25308887 1.00 CCNK (0.60) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL25308297 0.96 CCNK (0.64) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL30518535 0.96 CCNK (0.64) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL30518562 0.94 CCNK (0.59) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL25309290 0.94 CCNK (0.59) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL25309168 0.93 CCNK (0.57) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL30518547 0.93 CCNK (0.57) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL25262363 0.92 CCNK (0.63) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL30518519 0.92 CCNK (0.63) CCNKCDK12CDK2CCNE1CCNE2
SCHEMBL25308333 0.92 CCNK (0.56) CCNKCDK12CDK2CCNE1CCNE2

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-2023140640-A1 HETEROARYL DERIVATIVE AND USES THEREOF 한양대학교 산학협력단 2023-07-27 WO claimed