SCHEMBL14531791

SCHEMBL14531791

C[SH](C)(=O)N1CCOC(Cc2cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c3c(N)ncnn23)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 9/20 0.39
▸ RIPK1 Q13546 4/20 0.37
▸ TNK2 Q07912 2/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ IGF1R P08069 3/20 0.34
▸ INSR P06213 2/20 0.32
▸ MET P08581 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
SCHEMBL14313143 0.88 ACVRL1 (0.39) ACVRL1RIPK1TNK2MERTKIGF1R
SCHEMBL14327069 0.88 ACVRL1 (0.39) ACVRL1RIPK1TNK2MERTKIGF1R
SCHEMBL14313149 0.86 ACVRL1 (0.41) ACVRL1RIPK1MERTK
SCHEMBL5076878 0.83 ACVRL1 (0.41) ACVRL1RIPK1TNK2IGF1R
SCHEMBL14327028 0.81 ACVRL1 (0.40) ACVRL1TNK2IGF1RINSRMET
SCHEMBL14312981 0.80 ACVRL1 (0.37) ACVRL1TNK2MERTKIGF1RINSR
SCHEMBL14313218 0.80 ACVRL1 (0.44) ACVRL1RIPK1MERTKMET
SCHEMBL5074844 0.79 ACVRL1 (0.43) ACVRL1TNK2IGF1RINSRMET
SCHEMBL14313018 0.79 ACVRL1 (0.62) ACVRL1TNK2MERTK
SCHEMBL14313034 0.79 RIPK1 (0.41) ACVRL1RIPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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