SCHEMBL21173791

SCHEMBL21173791

COc1c[c]ccc1Nc1ncc2ccnc(Cl)c2n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.57
CCNA2 P20248 5/20 0.43
CDK2 P24941 5/20 0.43
LRRK2 Q5S007 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
SCHEMBL25302280 0.82 LRRK2 (0.50) LRRK2
SCHEMBL14556210 0.78 LRRK2 (0.51) LRRK2
SCHEMBL21723720 0.77 LRRK2 (0.48) LRRK2
SCHEMBL7449816 0.74 LRRK2 (0.53) LRRK2
SCHEMBL28925019 0.74 LRRK2 (0.50) TTKLRRK2
SCHEMBL20537316 0.73 ULK1 (0.50) LRRK2
SCHEMBL25301733 0.73 LRRK2 (0.44) CCNA2CDK2LRRK2
SCHEMBL15507708 0.73 TTK (1.00) TTKCCNA2CDK2
SCHEMBL17024307 0.73 TTK (0.65) TTKCCNA2CDK2
SCHEMBL30623764 0.73 TTK (1.00) TTKCCNA2CDK2

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
EP-3293183-B1 INHIBITOR COMPOUNDS CANCER RESEARCH TECH LTD (GB) 2019-07-24 EP disclosed