SCHEMBL6971952

SCHEMBL6971952

Cn1nc(-c2c(Cl)cncc2Cl)nc1Cc1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
HTR6 P50406 1/20 0.33
TGFBR1 P36897 1/20 0.31
TGFBR2 P37173 1/20 0.31
IGF1R P08069 1/20 0.31
CYP11B1 P15538 1/20 0.31
PSEN1 P49768 1/20 0.31

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
SCHEMBL6963345 0.89 NR1H2 (0.35) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL6975165 0.78 SMN1; SMN2 (0.41) HTTMAPTL3MBTL1
SCHEMBL6975297 0.67 NR1H3 (0.61) HTTMAPTHPGDL3MBTL1
SCHEMBL6967154 0.67 NR1H2 (0.47) CYP11B1HTTHPGDL3MBTL1
SCHEMBL7740503 0.66 NR1H2 (0.49) HTTMAPTHPGDL3MBTL1
SCHEMBL7742632 0.65 SIGMAR1 (0.46)
SCHEMBL6972656 0.64 MEN1 (0.47) PIK3CDHTTPDE10AMAPTHPGD
SCHEMBL6969367 0.63 CYP2A6 (0.42) IGF1RHTTHPGD
SCHEMBL6964885 0.62
SCHEMBL14736756 0.60 KDM4C (0.43) HRH4PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123287-B1 INSECTICIDAL 3- (SUBSTITUTED PYRIDYL) -1, 2, 4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2003-07-30 EP disclosed
US-6413992-B1 3-(substituted pyridyl)-1,2,4-triazole compounds DOW AGROSCIENCES LLC 2002-07-02 US disclosed