SCHEMBL14327133

SCHEMBL14327133

CC(=O)C1CCCN(CCCCc2cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c3c(N)ncnn23)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 10/20 0.40
▸ RIPK1 Q13546 1/20 0.36
▸ MERTK Q12866 2/20 0.34
▸ AXL P30530 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TNK2 Q07912 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34

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
SCHEMBL14312573 0.94 ACVRL1 (0.41) ACVRL1RIPK1KDM4EKMT2ATNK2
SCHEMBL14312584 0.92 KDM4E (0.44) ACVRL1RIPK1KDM4E
SCHEMBL14898496 0.90 ACVRL1 (0.48) ACVRL1RIPK1KMT2ATNK2
SCHEMBL14313914 0.90 ACVRL1 (0.41) ACVRL1KDM4ETNK2
SCHEMBL14312877 0.90 ACVRL1 (0.48) ACVRL1RIPK1KMT2ATNK2
SCHEMBL14313307 0.89 ACVRL1 (0.43) ACVRL1RIPK1TNK2CHRNB2CHRNB4
SCHEMBL14327140 0.88 MEN1 (0.41) ACVRL1KMT2ATNK2CHRNB2CHRNB4
SCHEMBL14313411 0.88 ACVRL1 (0.39) ACVRL1TNK2FGFR1
SCHEMBL14312731 0.88 ACVRL1 (0.46) ACVRL1MERTKTNK2
SCHEMBL14312922 0.87 ACVRL1 (0.42) ACVRL1RIPK1MERTKAXLTYRO3

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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