SCHEMBL8914925

SCHEMBL8914925

C=Cc1nc(-c2ccccc2)nc2nccnc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.39
ADORA3 P0DMS8 4/20 0.37
ADORA1 P30542 4/20 0.37
ADORA2A P29274 3/20 0.36
IDH1 O75874 1/20 0.36
POLB P06746 1/20 0.35
ADORA2B P29275 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL30518206 0.75 KMT2A (0.52) ABCG2ADORA3ADORA1ADORA2APOLB
SCHEMBL14344519 0.75 ABCG2 (0.43) ABCG2ADORA3ADORA1ADORA2APOLB
SCHEMBL28637477 0.75 ADORA2A (0.53) ABCG2ADORA3ADORA1ADORA2APOLB
SCHEMBL10788916 0.75 ABCG2 (0.42) ABCG2ADORA3ADORA1ADORA2APOLB
SCHEMBL10783317 0.75 LMNA (0.47) ABCG2ADORA3ADORA1ADORA2APOLB
SCHEMBL28873874 0.75 ABCG2 (0.42) ABCG2ADORA3ADORA1ADORA2APOLB
SCHEMBL2213565 0.75 KMT2A (0.52) ABCG2ADORA3ADORA1ADORA2APOLB
SCHEMBL10783436 0.74 MAPT (0.43) ABCG2ADORA3ADORA1ADORA2APOLB
SCHEMBL8914927 0.72 HTT (0.38) ADORA3ADORA1ADORA2APOLBL3MBTL1
SCHEMBL10785767 0.69 KMT2A (0.52) ABCG2POLBL3MBTL1MAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639753-A CONTROLLING INSECTS IN AGRICULTURE CROPS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5532367-A LARVICIDES FMC CORPORATION (US) 1996-07-02 US disclosed
US-5521190-A USEFUL AGAINST TOBACCO BUDWORM FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1994027439-A1 INSECTICIDAL PTERIDINES AND 8-DEAZAPTERIDINES FMC CORPORATION (US) 1994-12-08 WO disclosed