SCHEMBL21806071

SCHEMBL21806071

CC1(c2n[nH]cc2-c2cncc(N)n2)CCC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL21805993 0.69 DYRK1A (0.41) PIM1
SCHEMBL21805985 0.65
SCHEMBL28573338 0.60 JAK2 (0.45) PIM1
SCHEMBL21208806 0.58
SCHEMBL21861348 0.58 AKT1 (0.44) PIM1PIM3PIM2
SCHEMBL3363101 0.57 HSP90AA1 (0.53)
SCHEMBL3366129 0.57 ALOX5AP (0.45)
SCHEMBL31253225 0.55 HSP90AA1 (0.49)
SCHEMBL31253224 0.55 HSP90AA1 (0.49)
SCHEMBL21208798 0.55

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3852736-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
WO-2020061118-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2020061117-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed