SCHEMBL18448034

SCHEMBL18448034

c1ccc(COc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccs7)cncc6[nH]5)c4c3)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK3 P49761 17/20 0.73
DYRK1A Q13627 17/20 0.73
CLK2 P49760 16/20 0.73
AKT1 P31749 1/20 0.50
WNT1 P04628 2/20 0.47

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
SCHEMBL18446687 0.93 CLK3 (0.63) CLK3DYRK1ACLK2AKT1WNT1
SCHEMBL18485810 0.90 CLK3 (0.62) CLK3DYRK1ACLK2AKT1WNT1
SCHEMBL18447295 0.90 CLK2 (0.59) CLK3DYRK1ACLK2AKT1WNT1
SCHEMBL18444433 0.89 CLK2 (0.58) CLK3DYRK1ACLK2AKT1WNT1
SCHEMBL18447230 0.89 DYRK1A (0.64) CLK3DYRK1ACLK2
SCHEMBL18442064 0.89 CLK2 (0.60) CLK3DYRK1ACLK2AKT1WNT1
SCHEMBL18447322 0.88 CLK3 (0.57) CLK3DYRK1ACLK2WNT1
SCHEMBL18442398 0.87 CLK2 (0.56) CLK3DYRK1ACLK2AKT1WNT1
SCHEMBL18447352 0.87 CLK3 (0.56) CLK3DYRK1ACLK2WNT1
SCHEMBL18448446 0.86 CLK3 (0.57) CLK3DYRK1ACLK2WNT1

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-2017024013-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed