SCHEMBL14531509

SCHEMBL14531509

Nc1ncnn2c(C(=O)C3CCN([SH](=O)=O)C3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 14/20 0.35
▸ TNK2 Q07912 1/20 0.34
▸ ACVRL1 P37023 3/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CSNK1G2 P78368 1/20 0.33
▸ PRKG1 Q13976 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ SGK2 Q9HBY8 1/20 0.33
▸ CSNK1G1 Q9HCP0 1/20 0.33
▸ CSNK1G3 Q9Y6M4 1/20 0.33

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
SCHEMBL14327055 0.88 TYRO3 (0.39) RIPK1
SCHEMBL14313053 0.88 MERTK (0.39) RIPK1TNK2DYRK3ROCK2MAPK1
SCHEMBL14313008 0.87 TYRO3 (0.41) RIPK1
SCHEMBL14898487 0.87 MERTK (0.40) RIPK1TNK2ACVRL1DYRK3ROCK2
SCHEMBL14312564 0.87 BTK (0.39) RIPK1ACVRL1DYRK3ROCK2MAPK1
SCHEMBL14312510 0.87 AXL (0.35) RIPK1TNK2ACVRL1IGF1RDYRK3
SCHEMBL14312623 0.87 MERTK (0.36) RIPK1TNK2ACVRL1IGF1RDYRK3
SCHEMBL14312579 0.86 ACVRL1 (0.45) RIPK1TNK2ACVRL1IGF1R
SCHEMBL14327087 0.86 TYRO3 (0.43) RIPK1ACVRL1IGF1RDYRK3ROCK2
SCHEMBL14312523 0.86 PIK3CD (0.40) RIPK1ACVRL1

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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