SCHEMBL8961528

SCHEMBL8961528

Cc1cc(C#N)nc(Nc2cccc(F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
TAAR1 Q96RJ0 2/20 0.48
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
ABCC1 P33527 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL8961467 0.84 TAAR1 (0.56) SLC2A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL8525000 0.77 TP53 (0.59) SMN1; SMN2MAPTPOLBTAAR1CTSL
SCHEMBL9500241 0.74 MAPT (0.48) SLC2A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL91451 0.74 SMN1; SMN2 (0.67) SLC2A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL17219998 0.72 CTSK (0.62) SMN1; SMN2LMNAMAPTPOLBTAAR1
SCHEMBL31715851 0.70 HTT (0.60) SLC2A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL8297647 0.69 TP53 (0.52) SMN1; SMN2MAPTPOLBTAAR1ABCG2
SCHEMBL2874930 0.69 NFKB1 (0.65) SMN1; SMN2LMNAMAPTPOLBTAAR1
SCHEMBL8758910 0.69 ABCC1 (0.63) SLC2A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL9763442 0.69 KCNH3 (0.44) SMN1; SMN2MAPTPOLBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457726-B1 2-Anilinopyrimidine derivatives as pesticides CIBA GEIGY AG (CH) 1996-02-07 EP claimed
EP-0457726-A1 2-Anilinopyrimidine derivatives as pesticides CIBA-GEIGY AG (CH) 1991-11-21 EP claimed
EP-0457726-B1 2-Anilinopyrimidine derivatives as pesticides CIBA GEIGY AG (CH) 1996-02-07 EP disclosed
US-5439912-A Plant fungicide, insecticide, pesticide CIBA-GEIGY CORPORATION (US) 1995-08-08 US disclosed
EP-0457726-A1 2-Anilinopyrimidine derivatives as pesticides CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed