SCHEMBL5074874

SCHEMBL5074874

Nc1ncnn2c(-c3cccc(CNC(=O)O)c3)cc(Br)c12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.52
RIPK1 Q13546 5/20 0.44
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL14312789 0.85 CSNK2A2 (0.52) PIK3CDRIPK1CSNK2A2CSNK2A1
SCHEMBL14888138 0.83 PIK3CD (0.58) PIK3CD
SCHEMBL14327060 0.82 PIK3CD (0.58) PIK3CD
SCHEMBL19690039 0.81 PIK3CD (0.61) PIK3CDRIPK1CSNK2A2CSNK2A1
SCHEMBL5141007 0.77 RIPK1 (0.46) PIK3CDRIPK1
SCHEMBL14314295 0.74 PIK3CD (0.66) PIK3CDRIPK1CSNK2A2CSNK2A1
SCHEMBL16011408 0.74 ACVRL1 (0.48) PIK3CDRIPK1CSNK2A2CSNK2A1
SCHEMBL14312974 0.73 PIK3CD (0.44) PIK3CD
SCHEMBL19279724 0.69 PIK3CD (0.70) PIK3CD
SCHEMBL16396984 0.69 AOC3 (0.60)

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-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 EP disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 WO disclosed