SCHEMBL19860031

SCHEMBL19860031

Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(CNCN7CCC(F)(F)C7)c6)cc45)nc23)s1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 14/20 0.51
CLK3 P49761 14/20 0.51
DYRK1A Q13627 14/20 0.51
WNT1 P04628 6/20 0.49
TGFBR1 P36897 4/20 0.49

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
SCHEMBL17569146 0.92 CLK2 (0.59) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17569167 0.85 CLK2 (0.59) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17569138 0.85 CLK2 (0.61) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17587140 0.85 CLK2 (0.66) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17569132 0.84 CLK2 (0.54) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20747775 0.84 WNT1 (0.45) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17569148 0.83 WNT1 (0.66) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17569134 0.83 CLK2 (0.55) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17569150 0.83 WNT1 (0.65) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17587538 0.83 CLK2 (0.56) CLK2CLK3DYRK1AWNT1TGFBR1

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