SCHEMBL14898467

SCHEMBL14898467

Nc1ncnn2c(CCCBr)cc(-c3ccc4cn(Cc5cccc(Cl)c5)nc4c3)c12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 11/20 0.45
▸ TDP1 Q9NUW8 1/20 0.34
▸ MET P08581 4/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ EGFR P00533 1/20 0.31

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
SCHEMBL5158094 0.93 ACVRL1 (0.48) ACVRL1METRIPK1
SCHEMBL14313162 0.92 ACVRL1 (0.56) ACVRL1METNTRK1NTRK2THRB
SCHEMBL5077600 0.90 ACVRL1 (0.49) ACVRL1METRIPK1
SCHEMBL14313175 0.88 ACVRL1 (0.42) ACVRL1METPIK3CD
SCHEMBL14313032 0.88 ACVRL1 (0.43) ACVRL1METPIK3CD
SCHEMBL5074881 0.87 ACVRL1 (0.46) ACVRL1METRIPK1PIK3CD
SCHEMBL14314307 0.87 ACVRL1 (0.41) ACVRL1METPIK3CD
SCHEMBL14313055 0.86 ACVRL1 (0.50) ACVRL1METRIPK1
SCHEMBL14312757 0.84 ACVRL1 (0.61) ACVRL1METRIPK1
SCHEMBL5080438 0.83 ACVRL1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431695-B2 Pyrrolo[2,1-f][1,2,4]triazin-4-ylamines IGF-1R kinase inhibitors for the treatment of cancer and other hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-30 — — US disclosed
US-8431695-B2 Pyrrolo[2,1-f][1,2,4]triazin-4-ylamines IGF-1R kinase inhibitors for the treatment of cancer and other hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-30 — — US disclosed
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