SCHEMBL14327061

SCHEMBL14327061

CCC(CCN(C)CCO)c1cc(-c2ccc3cn(Cc4ccccc4)nc3c2)c2c(N)ncnn12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 12/20 0.36
▸ MET P08581 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ RET P07949 2/20 0.33
▸ KDR P35968 1/20 0.33
▸ RIPK1 Q13546 2/20 0.33
▸ SRC P12931 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 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
SCHEMBL14327086 0.87 RIPK1 (0.36) RETKDRRIPK1
SCHEMBL14312485 0.84 ACVRL1 (0.49) ACVRL1METRIPK1SRC
SCHEMBL14312813 0.83 ACVRL1 (0.43) ACVRL1METCFTRRETKDR
SCHEMBL14312898 0.79 ACVRL1 (0.52) ACVRL1METRIPK1
SCHEMBL14531789 0.78 CFTR (0.34) ACVRL1CFTRRIPK1
SCHEMBL14327129 0.77 EGFR (0.32) —
SCHEMBL14312757 0.77 ACVRL1 (0.61) ACVRL1METRIPK1
SCHEMBL14327088 0.77 RIPK1 (0.34) ACVRL1RIPK1
SCHEMBL14313240 0.77 TYRO3 (0.47) ACVRL1
SCHEMBL5136879 0.76 ACVRL1 (0.61) ACVRL1METRIPK1

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
EP-1945222-B1 PYRROLO[2,1-F] [1,2,4]-TRIAZIN-4-YLAMINES AS IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer Pharma AG (DE) 2012-12-26 — — EP disclosed
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