SCHEMBL8060441

SCHEMBL8060441

C1CCNC2(CC1)CC[N]CC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KA5 O75582 1/20 0.33
CHEK2 O96017 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33

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
SCHEMBL8062435 1.00 CHEK1 (0.33) CHEK1AURKARPS6KA5CHEK2MAPK3
SCHEMBL3550926 0.98 CHEK1 (0.34) CHEK1AURKARPS6KA5CHEK2MAPK3
SCHEMBL335936 0.90 CHRNA1 (0.31)
SCHEMBL8056098 0.86
SCHEMBL8056747 0.86
SCHEMBL25231616 0.84 CHEK1 (0.35) CHEK1AURKARPS6KA5CHEK2MAPK3
SCHEMBL20104746 0.84 CHEK1 (0.35) CHEK1AURKARPS6KA5CHEK2MAPK3
SCHEMBL21573995 0.84 CHEK1 (0.35) CHEK1AURKARPS6KA5CHEK2MAPK3
SCHEMBL25229684 0.84 CHEK1 (0.35) CHEK1AURKARPS6KA5CHEK2MAPK3
SCHEMBL16877500 0.84 CHEK1 (0.35) CHEK1AURKARPS6KA5CHEK2MAPK3

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
US-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 US disclosed