SCHEMBL18448446

SCHEMBL18448446

Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CLK3 P49761 19/20 0.57
DYRK1A Q13627 19/20 0.57
CLK2 P49760 18/20 0.57
WNT1 P04628 1/20 0.48

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
SCHEMBL18447230 0.93 DYRK1A (0.64) CLK3DYRK1ACLK2
SCHEMBL18448255 0.93 CLK3 (0.68) CLK3DYRK1ACLK2WNT1
SCHEMBL18447086 0.92 WNT1 (0.52) CLK3DYRK1ACLK2WNT1
SCHEMBL18448769 0.91 CLK3 (0.56) CLK3DYRK1ACLK2WNT1
SCHEMBL18448579 0.91 CLK3 (0.56) CLK3DYRK1ACLK2WNT1
SCHEMBL18451983 0.91 DYRK1A (0.49) CLK3DYRK1ACLK2WNT1
SCHEMBL20452619 0.90 CLK2 (0.60) CLK3DYRK1ACLK2WNT1
SCHEMBL18444267 0.89 CLK2 (0.63) CLK3DYRK1ACLK2WNT1
SCHEMBL18442117 0.88 CLK2 (0.59) CLK3DYRK1ACLK2WNT1
SCHEMBL18447716 0.88 CLK3 (0.55) 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