SCHEMBL19645562

SCHEMBL19645562

OC(Nc1cncc(-c2cc3c(-c4nc5c(-c6cccs6)nccc5[nH]4)n[nH]c3cc2F)c1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 7/20 0.57
CLK3 P49761 6/20 0.57
DYRK1A Q13627 6/20 0.57
WNT1 P04628 12/20 0.49
TGFBR1 P36897 8/20 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
SCHEMBL19645521 0.98 CLK2 (0.58) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19356540 0.89 CLK2 (0.55) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20762710 0.89 WNT1 (0.48) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19718408 0.89 CLK2 (0.73) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17587909 0.88 CLK2 (0.56) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19363399 0.88 CLK2 (0.74) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17587925 0.87 CLK2 (0.73) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20762803 0.87 WNT1 (0.49) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19645575 0.87 CLK2 (0.54) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17587924 0.86 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