SCHEMBL14327110

SCHEMBL14327110

CCC(CCNC)c1cc(-c2cc(F)c3cn(Cc4ccccc4)nc3c2)c2c(N)ncnn12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 6/20 0.42
▸ CFTR P13569 8/20 0.39
▸ RIPK1 Q13546 5/20 0.36
▸ RET P07949 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
SCHEMBL14327089 0.79 CFTR (0.38) ACVRL1CFTRRIPK1RET
SCHEMBL5077435 0.74 ACVRL1 (0.56) ACVRL1RIPK1
SCHEMBL14327086 0.74 RIPK1 (0.36) RIPK1RET
SCHEMBL14327061 0.73 ACVRL1 (0.36) ACVRL1CFTRRIPK1RET
SCHEMBL14531772 0.73 ACVRL1 (0.45) ACVRL1
SCHEMBL14898503 0.72 TYRO3 (0.51) ACVRL1
SCHEMBL14312813 0.72 ACVRL1 (0.43) ACVRL1CFTRRIPK1RET
SCHEMBL5077162 0.70 ACVRL1 (0.46) ACVRL1RIPK1
SCHEMBL14531789 0.70 CFTR (0.34) ACVRL1CFTRRIPK1
SCHEMBL5077843 0.66 ADORA3 (0.38) 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
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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