SCHEMBL18448255

SCHEMBL18448255

Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CLK3 P49761 17/20 0.68
DYRK1A Q13627 17/20 0.68
CLK2 P49760 16/20 0.68
WNT1 P04628 4/20 0.57

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
SCHEMBL20451133 0.94 WNT1 (0.61) CLK3DYRK1ACLK2WNT1
SCHEMBL18448446 0.93 CLK3 (0.57) CLK3DYRK1ACLK2WNT1
SCHEMBL20453225 0.91 CLK3 (0.56) CLK3DYRK1ACLK2WNT1
SCHEMBL18448769 0.91 CLK3 (0.56) CLK3DYRK1ACLK2WNT1
SCHEMBL20452477 0.90 WNT1 (0.71) CLK3DYRK1ACLK2WNT1
SCHEMBL20455069 0.89 CLK2 (0.69) CLK3DYRK1ACLK2WNT1
SCHEMBL18447230 0.89 DYRK1A (0.64) CLK3DYRK1ACLK2
SCHEMBL18441562 0.89 CLK2 (0.65) CLK3DYRK1ACLK2WNT1
SCHEMBL18448579 0.89 CLK3 (0.56) CLK3DYRK1ACLK2WNT1
SCHEMBL18441990 0.87 WNT1 (0.61) 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