SCHEMBL13655800

SCHEMBL13655800

C/C=C1/CN(C2CCNCC2)C(=O)N/C1=C/C=C/C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 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
SCHEMBL13656015 0.73 TP53 (0.33) —
SCHEMBL1810703 0.67 PARP1 (0.37) MAPK1
SCHEMBL18930924 0.65 — —
SCHEMBL21966233 0.61 JAK2 (0.33) —
SCHEMBL21547898 0.59 TP53 (0.33) —
SCHEMBL21118773 0.58 — —
SCHEMBL2100919 0.58 BRD4 (0.50) MAPK1
SCHEMBL31184539 0.58 BRD4 (0.50) MAPK1
SCHEMBL31184549 0.58 BRD4 (0.50) MAPK1
SCHEMBL14163377 0.58 PARP1 (0.38) —

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-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 — — EP disclosed
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