SCHEMBL18448387

SCHEMBL18448387

Cc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN(C)C)c6)cc45)cc23)s1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CLK3 P49761 17/20 0.76
DYRK1A Q13627 17/20 0.76
CLK2 P49760 16/20 0.76
WNT1 P04628 3/20 0.52

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
SCHEMBL18446763 0.92 CLK3 (0.66) CLK3DYRK1ACLK2WNT1
SCHEMBL20453544 0.89 CLK2 (0.60) CLK3DYRK1ACLK2WNT1
SCHEMBL18476057 0.88 CLK2 (0.77) CLK3DYRK1ACLK2WNT1
SCHEMBL20455241 0.88 CLK2 (0.70) CLK3DYRK1ACLK2WNT1
SCHEMBL18448876 0.88 DYRK1A (0.57) CLK3DYRK1ACLK2WNT1
SCHEMBL18441905 0.87 CLK2 (0.62) CLK3DYRK1ACLK2WNT1
SCHEMBL18447204 0.87 CLK3 (0.78) CLK3DYRK1ACLK2WNT1
SCHEMBL18446858 0.87 DYRK1A (1.00) CLK3DYRK1ACLK2WNT1
SCHEMBL18447559 0.86 CLK3 (0.66) CLK3DYRK1ACLK2WNT1
SCHEMBL18488648 0.86 CLK2 (0.71) CLK3DYRK1ACLK2

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