SCHEMBL19645545

SCHEMBL19645545

CCCC(O)Nc1cncc(-c2cc3c(-c4nc5c(N6CCCCC6)nccc5[nH]4)n[nH]c3cc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 16/20 0.55
CLK2 P49760 15/20 0.55
CLK3 P49761 15/20 0.55
WNT1 P04628 4/20 0.47
TGFBR1 P36897 3/20 0.47
GSK3B P49841 1/20 0.43

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
SCHEMBL20439281 0.96 DYRK1A (0.54) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL20439285 0.92 DYRK1A (0.55) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL19645554 0.91 DYRK1A (0.54) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17587781 0.90 DYRK1A (0.60) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL19645553 0.90 DYRK1A (0.62) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL19645591 0.87 DYRK1A (0.54) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17587790 0.87 CLK2 (0.63) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL19645579 0.86 CLK2 (0.52) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17587774 0.86 WNT1 (0.64) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL17587832 0.85 CLK2 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828372-B2 2-(1H-indazol-3-yl)-1H-imidazo[4,5-C]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-11-28 US disclosed