SCHEMBL363333

SCHEMBL363333

NC1(c2ccc(-c3nc4n[c]nn4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.56
AKT2 P31751 2/20 0.52

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
SCHEMBL868166 0.83 AKT1 (0.59) AKT1AKT2
SCHEMBL538387 0.81 AKT1 (0.58) AKT1AKT2
SCHEMBL363324 0.81 AKT1 (0.61) AKT1AKT2
SCHEMBL538715 0.81 AKT1 (0.59) AKT1AKT2
SCHEMBL868013 0.81 AKT1 (0.56) AKT1AKT2
SCHEMBL361966 0.80 AKT1 (0.56) AKT1AKT2
SCHEMBL867156 0.80 AKT1 (0.60) AKT1AKT2
SCHEMBL538499 0.80 AKT1 (0.56) AKT1AKT2
SCHEMBL866992 0.79 AKT1 (0.57) AKT1AKT2
SCHEMBL538686 0.79 AKT1 (0.64) AKT1AKT2

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
EP-2593458-A1 BICYCLIC PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed