SCHEMBL17243397

SCHEMBL17243397

Cc1ncccc1-c1ccc(C(=O)NCc2ccc(-c3ccnc(C(C)(F)F)c3)nc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39
WNT3A P56704 5/20 0.39
TACR1 P25103 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
WDR5 P61964 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL249252 0.94 TACR1 (0.41) HTTKCNH2GRIN2BWNT3ATACR1
SCHEMBL17243391 0.89 TRPV1 (0.49) L3MBTL1HTTWNT3AADORA2AADORA1
SCHEMBL17243393 0.85 WNT3A (0.48) L3MBTL1HTTKCNH2GRIN2BWNT3A
SCHEMBL248091 0.84 HDAC4 (0.41) WNT3A
SCHEMBL248144 0.83 TRPV1 (0.52) L3MBTL1HTTWNT3AADORA2AADORA1
SCHEMBL248781 0.82 WNT3A (0.41) KCNH2GRIN2BWNT3A
SCHEMBL247582 0.80 WNT3A (0.50) WNT3AADORA2AADORA1
SCHEMBL17243394 0.78 TRPV1 (0.51) L3MBTL1HTTKCNH2GRIN2BWNT3A
SCHEMBL248044 0.78 WNT3A (0.49) HTTKCNH2GRIN2BWNT3ARAB9A
SCHEMBL249965 0.76 WNT3A (0.54) WNT3AWDR5

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-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed