SCHEMBL19860032

SCHEMBL19860032

c1ccc(-c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CC7CCCCC7)c6)cc45)nc23)nc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.61
CLK2 P49760 8/20 0.61
CLK3 P49761 7/20 0.61
WNT1 P04628 11/20 0.54
TGFBR1 P36897 4/20 0.54
GSK3B P49841 1/20 0.41

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
SCHEMBL17569099 0.90 WNT1 (0.67) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17569037 0.86 DYRK1A (0.61) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17568968 0.85 DYRK1A (0.61) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17569722 0.85 WNT1 (0.55) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17569737 0.85 WNT1 (0.60) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17568971 0.84 CLK3 (0.66) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17568945 0.84 CLK2 (0.73) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17555833 0.83 CLK2 (0.85) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17583344 0.83 CLK2 (0.78) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17569046 0.83 DYRK1A (0.61) DYRK1ACLK2CLK3WNT1TGFBR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9889140-B2 3-(1H-imidazo[4,5-C]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2018-02-13 US disclosed
US-9889140-B2 3-(1H-imidazo[4,5-C]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2018-02-13 US disclosed