SCHEMBL20008571

SCHEMBL20008571

Cc1ncc(N)cc1-c1cnc(C)c(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.53
PIK3CA P42336 6/20 0.42
PIK3R1 P27986 3/20 0.42
MTOR P42345 3/20 0.42
BRAF P15056 9/20 0.41
NUDT1 P36639 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL16121452 0.88 BRAF (0.54) RAF1PIK3CAMTORBRAF
SCHEMBL16094681 0.86 BRAF (0.55) RAF1PIK3CABRAFNUDT1KDM4E
SCHEMBL16095126 0.82 RAF1 (0.52) RAF1PIK3CAPIK3R1MTORBRAF
SCHEMBL16094893 0.81 BRAF (0.56) RAF1MTORBRAFNUDT1KDM4E
SCHEMBL16094722 0.81 RAF1 (0.59) RAF1PIK3CABRAF
SCHEMBL25594314 0.77 RAF1 (0.63) RAF1PIK3CABRAFCRHBPCRHR2
SCHEMBL16121173 0.77 RAF1 (0.48) RAF1PIK3CAPIK3R1MTORBRAF
SCHEMBL16121597 0.74 RAF1 (0.57) RAF1BRAF
SCHEMBL2144542 0.74 KDM4E (0.46) RAF1PIK3CAPIK3R1MTORNUDT1
SCHEMBL26783363 0.73 RAF1 (0.58) RAF1PIK3CAMTORBRAFCRHBP

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed