SCHEMBL363205

SCHEMBL363205

O=C(O)NC1(c2ccc(-c3nc4nccn4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.43
AKT2 P31751 9/20 0.43
TACR3 P29371 2/20 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
SCHEMBL370173 0.87 AKT1 (0.48) AKT1AKT2TACR3
SCHEMBL363426 0.81 AKT1 (0.61) AKT1AKT2
SCHEMBL538068 0.81 AKT1 (0.41) AKT1AKT2TACR3
SCHEMBL360850 0.80 AKT1 (0.44) AKT1AKT2TACR3
SCHEMBL363942 0.75 AKT1 (0.49) AKT1AKT2TACR3
SCHEMBL13256556 0.73 AKT1 (0.56) AKT1AKT2
SCHEMBL3854158 0.73 AKT1 (0.45) AKT1AKT2TACR3
SCHEMBL868118 0.73 AKT1 (0.49) AKT1AKT2TACR3
SCHEMBL12506640 0.73 AKT1 (0.45) AKT1AKT2TACR3
SCHEMBL12506525 0.73 AKT1 (0.41) AKT1AKT2TACR3

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