SCHEMBL19264015

SCHEMBL19264015

CCOC(=O)C1CCC(n2cc(I)c3c(Cl)ncnc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADK P55263 5/20 0.45
SLC29A1 Q99808 1/20 0.43
KMT2A Q03164 5/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
RIPK2 O43353 1/20 0.37

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
SCHEMBL397186 1.00 ADK (0.45) ADKSLC29A1KMT2APOLBTP53
SCHEMBL397185 1.00 ADK (0.45) ADKSLC29A1KMT2APOLBTP53
SCHEMBL10225976 0.87 ADK (0.47) ADKRIPK2
SCHEMBL399455 0.87 ADK (0.47) ADKRIPK2
SCHEMBL399456 0.87 ADK (0.47) ADKRIPK2
SCHEMBL16236390 0.81 ADK (0.54) ADKSLC29A1RIPK2
SCHEMBL29484542 0.81 ADK (0.54) ADKSLC29A1RIPK2
Acetic Acid SCHEMBL30180706 0.81 ADK (0.51) ADKSLC29A1RIPK2
SCHEMBL19264031 0.78 RIPK2 (0.48) ADKRIPK2
SCHEMBL398713 0.78 ADK (0.48) ADKSLC29A1

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-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP disclosed