SCHEMBL5077251

SCHEMBL5077251

Nc1ncnn2c(CN3CCN(C(=O)O)CC3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 8/20 0.38
▸ RIPK1 Q13546 3/20 0.34
▸ CFD P00746 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDR P35968 1/20 0.32

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
SCHEMBL58549 0.89 HRH3 (0.44) ACVRL1MAP4K4MEN1KMT2A
SCHEMBL5081034 0.86 PDE1B (0.41) ACVRL1RIPK1MAP4K4ALDH1A1KMT2A
SCHEMBL57958 0.83 MAP4K4 (0.46) MAP4K4
SCHEMBL14312774 0.82 PIK3CA (0.47) ACVRL1PIK3CAMAP4K4KDM4E
SCHEMBL16011367 0.80 ACVRL1 (0.51) ACVRL1MAP4K4KDM4EALDH1A1MEN1
SCHEMBL59827 0.79 ACVRL1 (0.54) ACVRL1PIK3CAKDM4EALDH1A1MEN1
SCHEMBL5076918 0.79 ACVRL1 (0.54) ACVRL1ALDH1A1MEN1KMT2A
SCHEMBL14888176 0.78 ACVRL1 (0.46) ACVRL1KDM4EALDH1A1
SCHEMBL15019887 0.77 FGFR1 (0.39) ACVRL1MAP4K4
SCHEMBL15019263 0.77 FGFR1 (0.36) ACVRL1ALDH1A1MEN1KMT2A

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 4 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
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
Send feedback