SCHEMBL4008369

SCHEMBL4008369

CC(C)COC(=O)N1CC=C(c2ncnc3[nH]cc(Br)c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 20/20 0.49
▸ LIMK2 P53671 20/20 0.49

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
SCHEMBL4008367 0.83 LIMK1 (0.51) LIMK1LIMK2
SCHEMBL4006129 0.81 LIMK1 (0.54) LIMK1LIMK2
SCHEMBL4006743 0.77 AKT1 (0.56) LIMK2
SCHEMBL4008421 0.76 BRD4 (0.35) LIMK1LIMK2
SCHEMBL30595921 0.72 LIMK1 (0.51) LIMK1LIMK2
SCHEMBL30595935 0.72 LIMK1 (0.59) LIMK1LIMK2
SCHEMBL15032875 0.72 JAK2 (0.62) LIMK1LIMK2
SCHEMBL30976748 0.71 LIMK1 (0.71) LIMK1LIMK2
SCHEMBL4590003 0.70 WDR5 (0.40) —
SCHEMBL19220891 0.68 MEN1 (0.40) —

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
WO-2009080682-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-02 — — WO disclosed
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