SCHEMBL19645604

SCHEMBL19645604

CC(C)C(O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(OCCN(C)C)c6)nccc5[nH]4)c3c2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 11/20 0.73
CLK3 P49761 11/20 0.73
DYRK1A Q13627 11/20 0.73
WNT1 P04628 9/20 0.62
TGFBR1 P36897 2/20 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
SCHEMBL17588740 0.94 CLK2 (0.82) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20747784 0.93 CLK2 (0.63) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17588736 0.90 WNT1 (0.68) CLK2CLK3DYRK1AWNT1
SCHEMBL17588769 0.89 WNT1 (0.67) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17583437 0.88 WNT1 (0.80) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17588771 0.88 CLK2 (0.63) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17588731 0.87 WNT1 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17596749 0.87 WNT1 (0.69) CLK2CLK3DYRK1AWNT1
SCHEMBL17569940 0.87 CLK2 (0.71) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17588745 0.87 WNT1 (0.65) 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