SCHEMBL19645510

SCHEMBL19645510

OC(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 10/20 0.61
CLK3 P49761 10/20 0.61
DYRK1A Q13627 10/20 0.61
WNT1 P04628 10/20 0.54
TGFBR1 P36897 1/20 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
SCHEMBL20747711 0.93 CLK2 (0.53) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645506 0.92 DYRK1A (0.59) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645531 0.91 CLK2 (0.51) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645518 0.90 CLK2 (0.77) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645631 0.89 CLK2 (0.66) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645613 0.89 DYRK1A (0.59) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19356556 0.89 CLK2 (0.61) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19363508 0.88 CLK2 (0.48) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17583433 0.87 CLK2 (0.79) CLK2CLK3DYRK1AWNT1
SCHEMBL17586916 0.86 CLK2 (0.76) 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