SCHEMBL27768192

SCHEMBL27768192

Nc1ncnn2c(C(=O)C3CN(C(=O)O)CCO3)cc(Br)c12

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.44
RIPK1 Q13546 2/20 0.36
PDE2A O00408 9/20 0.34

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
SCHEMBL58530 0.86 PIK3CD (0.42) PIK3CDRIPK1
SCHEMBL5172866 0.82 PIK3CD (0.41) PIK3CDRIPK1
SCHEMBL5076983 0.81 PDE2A (0.47) PDE2A
SCHEMBL27747174 0.81 RIPK1 (0.40) PIK3CDRIPK1PDE2A
SCHEMBL5141366 0.75 PIK3CD (0.44) PIK3CDPDE2A
SCHEMBL19377773 0.73 PIK3CD (0.38) PIK3CD
SCHEMBL5080198 0.72 ACVRL1 (0.46) PIK3CD
SCHEMBL14488065 0.72 PDE2A (0.45) PIK3CDPDE2A
SCHEMBL14488061 0.72 PDE2A (0.45) PIK3CDPDE2A
SCHEMBL60090 0.69 PIK3CD (0.42) PIK3CD

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
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN disclosed
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN disclosed