SCHEMBL19645519

SCHEMBL19645519

CCCCC(O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 15/20 0.62
CLK3 P49761 15/20 0.62
DYRK1A Q13627 15/20 0.62
WNT1 P04628 6/20 0.54

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
SCHEMBL19356523 0.91 CLK2 (0.77) CLK2CLK3DYRK1AWNT1
SCHEMBL19263296 0.89 WNT1 (0.57) CLK2CLK3DYRK1AWNT1
SCHEMBL20261626 0.89 DYRK1A (0.56) CLK2CLK3DYRK1AWNT1
SCHEMBL19356518 0.88 CLK2 (0.63) CLK2CLK3DYRK1AWNT1
SCHEMBL20786634 0.88 CLK2 (0.61) CLK2CLK3DYRK1AWNT1
SCHEMBL17586968 0.86 CLK2 (0.81) CLK2CLK3DYRK1AWNT1
SCHEMBL20439286 0.86 CLK2 (0.52) CLK2CLK3DYRK1AWNT1
SCHEMBL20439273 0.86 CLK2 (0.81) CLK2CLK3DYRK1AWNT1
SCHEMBL19645580 0.85 CLK2 (0.51) CLK2CLK3DYRK1AWNT1
SCHEMBL17586975 0.85 WNT1 (0.70) CLK2CLK3DYRK1AWNT1

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