SCHEMBL8914927

SCHEMBL8914927

C=Cc1nc(-c2ccccc2)c2nccnc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
DHODH Q02127 1/20 0.35
MAPT P10636 3/20 0.33
CYP3A4 P08684 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3782353 0.76 KDM4E (0.53) HTTLMNAL3MBTL1TP53MAPK1
SCHEMBL17522834 0.73 KDM4E (0.50) HTTLMNAL3MBTL1TP53MAPK1
SCHEMBL8914925 0.72 ABCG2 (0.39) HTTL3MBTL1MAPK1KMT2AMEN1
SCHEMBL28105569 0.69 HTT (0.58) HTTLMNAL3MBTL1TP53MAPK1
SCHEMBL27997621 0.69 ADORA2A (0.46) HTTLMNAL3MBTL1TP53MAPK1
SCHEMBL28961179 0.69 ADORA1 (0.49) KMT2AGFERADORA2AADORA1
SCHEMBL11888329 0.68 PDE10A (0.42) L3MBTL1TP53TDP1KMT2AMEN1
SCHEMBL17508366 0.67 ADORA2A (0.43) HTTLMNAL3MBTL1TP53MAPK1
SCHEMBL17522835 0.67 ALDH1A1 (0.42) HTTLMNAL3MBTL1TDP1KMT2A
SCHEMBL10618357 0.66 L3MBTL1 (0.52) HTTLMNAL3MBTL1MAPK1KMT2A

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