SCHEMBL19645499

SCHEMBL19645499

CCC(O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)nccc5[nH]4)c3c2)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 12/20 0.69
CLK3 P49761 12/20 0.69
DYRK1A Q13627 12/20 0.69
WNT1 P04628 8/20 0.55
TGFBR1 P36897 1/20 0.48

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
SCHEMBL19645500 0.92 CLK2 (0.65) CLK2CLK3DYRK1AWNT1
SCHEMBL17586989 0.90 CLK2 (0.74) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19263297 0.89 WNT1 (0.71) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17586977 0.86 CLK2 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645546 0.85 CLK2 (0.61) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19860574 0.85 CLK2 (0.56) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17586993 0.85 WNT1 (0.72) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17586987 0.85 CLK2 (0.68) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL21577710 0.84 WNT1 (0.60) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17586979 0.84 CLK2 (0.74) 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 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