SCHEMBL18447352

SCHEMBL18447352

Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)s1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CLK3 P49761 18/20 0.56
DYRK1A Q13627 18/20 0.56
CLK2 P49760 17/20 0.56
WNT1 P04628 2/20 0.45

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
SCHEMBL18446342 0.93 CLK3 (0.48) CLK3DYRK1ACLK2WNT1
SCHEMBL18447322 0.91 CLK3 (0.57) CLK3DYRK1ACLK2WNT1
SCHEMBL18452148 0.91 CLK3 (0.47) CLK3DYRK1ACLK2WNT1
SCHEMBL18475825 0.90 WNT1 (0.55) CLK3DYRK1ACLK2WNT1
SCHEMBL20455175 0.90 CLK2 (0.52) CLK3DYRK1ACLK2WNT1
SCHEMBL20398027 0.89 CLK2 (0.55) CLK3DYRK1ACLK2WNT1
SCHEMBL18448446 0.88 CLK3 (0.57) CLK3DYRK1ACLK2WNT1
SCHEMBL18442056 0.88 CLK2 (0.54) CLK3DYRK1ACLK2WNT1
SCHEMBL18448034 0.87 CLK3 (0.73) CLK3DYRK1ACLK2WNT1
SCHEMBL18447875 0.87 CLK3 (0.53) 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