SCHEMBL17596227

SCHEMBL17596227

CC(=O)c1ccc(-c2cccc3[nH]c(-c4[nH]nc5cnc(-c6cncc(N(C)C)c6)c(F)c45)nc23)s1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 15/20 0.53
TGFBR1 P36897 12/20 0.53
CLK2 P49760 4/20 0.39
CLK3 P49761 4/20 0.39
DYRK1A Q13627 4/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL17566547 0.88 WNT1 (0.62) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17595833 0.87 WNT1 (0.54) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17575492 0.81 WNT1 (0.53) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17597990 0.79 WNT1 (0.45) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL15371439 0.79 WNT1 (0.64) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL18438639 0.79 WNT1 (0.63) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17566553 0.79 WNT1 (0.59) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17566110 0.79 WNT1 (0.81) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17566542 0.79 WNT1 (0.63) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL18380530 0.78 WNT1 (0.53) WNT1TGFBR1CLK2CLK3DYRK1A

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-2016040180-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2016-03-17 WO claimed