SCHEMBL19645032

SCHEMBL19645032

Fc1ccccc1-c1cccc2[nH]c(-c3n[nH]c4c(F)cc(-c5cncc(CN6CCCCC6)c5)cc34)nc12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 13/20 0.60
TGFBR1 P36897 9/20 0.60
CLK2 P49760 6/20 0.50
CLK3 P49761 5/20 0.50
DYRK1A Q13627 5/20 0.50
PARP1 P09874 1/20 0.47
DHODH Q02127 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
SCHEMBL19645018 0.92 WNT1 (0.72) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17587271 0.90 CLK2 (0.58) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL15307285 0.90 WNT1 (0.68) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17587270 0.89 CLK2 (0.58) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL15370947 0.89 WNT1 (0.62) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL15868975 0.89 WNT1 (0.68) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17638457 0.89 WNT1 (0.54) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL15365781 0.88 WNT1 (0.63) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17638455 0.88 WNT1 (0.55) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17565847 0.85 WNT1 (0.82) WNT1TGFBR1CLK2CLK3DYRK1A

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-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
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