SCHEMBL29975548

SCHEMBL29975548

Cc1cnc(-n2ccc3ccccc32)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.45
CDK2 P24941 1/20 0.45
ROCK1 Q13464 1/20 0.45
BIRC5 O15392 1/20 0.43
RPS6KA5 O75582 2/20 0.42
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
PLK1 P53350 1/20 0.40

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
SCHEMBL23559754 0.81 CDC7 (0.42) CDC7CDK2ROCK1BIRC5RPS6KA5
SCHEMBL2590108 0.81 RPS6KA5 (0.60) CDC7CDK2ROCK1BIRC5RPS6KA5
SCHEMBL29388240 0.81 RPS6KA5 (0.60) CDC7CDK2ROCK1BIRC5RPS6KA5
SCHEMBL28687782 0.79 ROCK1 (0.50) CDC7CDK2ROCK1BIRC5MAPT
SCHEMBL13052919 0.78 BIRC5 (0.59) CDC7CDK2ROCK1BIRC5RPS6KA5
SCHEMBL29022360 0.78 CDC7 (0.45) CDC7CDK2ROCK1BIRC5RPS6KA5
SCHEMBL28389224 0.78 CDC7 (0.47) CDC7CDK2ROCK1BIRC5RPS6KA5
SCHEMBL19145370 0.76 CDC7 (0.49) CDC7CDK2RPS6KA5ALDH1A1RAPGEF4
SCHEMBL13483670 0.75 BIRC5 (0.50) CDC7CDK2ROCK1BIRC5PRKD3
SCHEMBL4426563 0.72 BIRC5 (0.67) CDC7CDK2ROCK1BIRC5PRKD3

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
CN-115073294-B Method for synthesizing axichiral aryl conjugated diene through asymmetric alfa-C-H alkenyl reaction and product thereof 杭州师范大学 2024-11-01 CN disclosed
CN-115073294-A Method for synthesizing axial chiral aryl conjugated diene through asymmetric alfa-C-H olefination reaction and product thereof 杭州师范大学 2022-09-20 CN disclosed