SCHEMBL18495033

SCHEMBL18495033

CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cccc(NC(=O)Cc7ccccc7)c6)cc45)cc23)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 12/20 0.70
▸ CLK3 P49761 11/20 0.70
▸ DYRK1A Q13627 11/20 0.70
▸ WNT1 P04628 8/20 0.56
▸ TGFBR1 P36897 6/20 0.56

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
SCHEMBL18444049 0.94 CLK2 (0.80) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18447303 0.88 CLK2 (0.71) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18494264 0.86 CLK2 (0.76) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20965119 0.86 CLK2 (0.83) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20422888 0.86 CLK2 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18446114 0.86 CLK2 (0.66) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18494614 0.86 CLK2 (0.82) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18494607 0.85 CLK2 (0.84) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18494222 0.85 CLK2 (0.84) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18495037 0.85 CLK2 (0.84) 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
WO-2017024026-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 — — WO disclosed
Send feedback