SCHEMBL18483265

SCHEMBL18483265

CC(C)Nc1cccc(-c2cnc3[nH]nc(-c4cc5c(-c6cc(F)cc(OCCN(C)C)c6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 15/20 0.51
▸ DYRK1A Q13627 14/20 0.51
▸ CLK3 P49761 13/20 0.51
▸ WNT1 P04628 5/20 0.46
▸ TGFBR1 P36897 1/20 0.42

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
SCHEMBL18452083 0.93 CLK2 (0.52) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18485805 0.90 CLK2 (0.54) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18483116 0.90 CLK3 (0.55) CLK2DYRK1ACLK3WNT1
SCHEMBL18453064 0.90 CLK2 (0.55) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18447629 0.87 CLK2 (0.65) CLK2DYRK1ACLK3WNT1
SCHEMBL18452445 0.87 DYRK1A (0.54) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18483264 0.87 CLK2 (0.54) CLK2DYRK1ACLK3WNT1
SCHEMBL20452893 0.87 CLK2 (0.53) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20467182 0.87 WNT1 (0.48) CLK2DYRK1ACLK3WNT1
SCHEMBL18485826 0.86 CLK2 (0.49) CLK2DYRK1ACLK3WNT1TGFBR1

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-2017023981-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
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