SCHEMBL18448769

SCHEMBL18448769

Oc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CLK3 P49761 19/20 0.56
DYRK1A Q13627 19/20 0.56
CLK2 P49760 18/20 0.56
WNT1 P04628 1/20 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
SCHEMBL18446784 0.93 WNT1 (0.51) CLK3DYRK1ACLK2WNT1
SCHEMBL18448446 0.91 CLK3 (0.57) CLK3DYRK1ACLK2WNT1
SCHEMBL18452018 0.91 CLK3 (0.48) CLK3DYRK1ACLK2WNT1
SCHEMBL18448255 0.91 CLK3 (0.68) CLK3DYRK1ACLK2WNT1
SCHEMBL18446516 0.90 WNT1 (0.58) CLK3DYRK1ACLK2WNT1
SCHEMBL20455183 0.90 CLK2 (0.57) CLK3DYRK1ACLK2WNT1
SCHEMBL20397968 0.89 CLK2 (0.57) CLK3DYRK1ACLK2WNT1
SCHEMBL18447722 0.88 DYRK1A (0.59) CLK3DYRK1ACLK2WNT1
SCHEMBL18447230 0.88 DYRK1A (0.64) CLK3DYRK1ACLK2
SCHEMBL18441986 0.88 CLK2 (0.54) 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