SCHEMBL5080381

SCHEMBL5080381

Nc1ncnn2c(-c3csc(C4CCN(C(=O)O)CC4)n3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 6/20 0.45
▸ PIK3CD O00329 4/20 0.38
▸ RIPK1 Q13546 5/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ TYRO3 Q06418 2/20 0.36
▸ MERTK Q12866 1/20 0.35

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
SCHEMBL14313147 0.92 ACVRL1 (0.42) ACVRL1PIK3CDRIPK1TYRO3
SCHEMBL14898502 0.92 ACVRL1 (0.42) ACVRL1PIK3CDRIPK1TYRO3MERTK
SCHEMBL5142327 0.91 ACVRL1 (0.41) ACVRL1PIK3CDRIPK1TYRO3MERTK
SCHEMBL14313921 0.90 ACVRL1 (0.44) ACVRL1PIK3CDIGF1R
SCHEMBL14313087 0.89 ACVRL1 (0.42) ACVRL1PIK3CDIGF1RTYRO3MERTK
SCHEMBL14313108 0.89 ACVRL1 (0.46) ACVRL1PIK3CDIGF1R
Hydrochloric Acid SCHEMBL5074975 0.88 ACVRL1 (0.45) ACVRL1PIK3CDIGF1R
SCHEMBL5077750 0.86 ACVRL1 (0.47) ACVRL1TYRO3MERTK
SCHEMBL5153730 0.83 ACVRL1 (0.44) ACVRL1TYRO3MERTK
SCHEMBL5081049 0.83 ACVRL1 (0.44) ACVRL1TYRO3MERTK

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
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