SCHEMBL6949889

SCHEMBL6949889

C#CCOc1nc(Cl)c(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
KDR P35968 1/20 0.38
PGK1 P00558 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PYCR1 P32322 1/20 0.33
CCR4 P51679 1/20 0.32
CCNB1 P14635 1/20 0.32
MGMT P16455 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32
LMNA P02545 1/20 0.31
MAOB P27338 3/20 0.31
MAOA P21397 2/20 0.31
ACHE P22303 1/20 0.31
PIK3CD O00329 1/20 0.31
TRPA1 O75762 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL6950387 0.87 CDK1 (0.37) CDK1CDK2KDRPGK1POLB
SCHEMBL8536126 0.85 CDK1 (0.37) CDK1CDK2KDRPGK1POLB
SCHEMBL6951620 0.82 CDK1 (0.37) CDK1CDK2KDRPGK1POLB
SCHEMBL7779269 0.79 CDK1 (0.39) CDK1CDK2KDRPGK1POLB
SCHEMBL2524636 0.74 CDK1 (0.49) CDK1CDK2KDRPGK1POLB
SCHEMBL6953346 0.74 KMT2A (0.38) KDRMAPK1HSD17B10CCR4PIK3CD
SCHEMBL29687228 0.68 PIK3CD (0.37) PIK3CDTRPA1TRPM8TRPV1
SCHEMBL675996 0.68 PIK3CD (0.37) PIK3CDTRPA1TRPM8TRPV1
SCHEMBL6830938 0.67 TSHR (0.50) CDK1CDK2PGK1POLBMAPK1
SCHEMBL24337150 0.67 PGK1 (0.41) PGK1POLBPYCR1LMNAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849920-A Substituted trifluoromethylpyridines BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US claimed
EP-0759429-A1 Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles BASF Aktiengesellschaft (DE) 1997-02-26 EP claimed
EP-0846113-B1 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES BASF AG (DE) 2003-01-29 EP disclosed
US-6107253-A GOOD HERBICIDAL ACTION AND ARE TOLERABLE IN CROPS SUCH AS WHEAT OR RICE BASF AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
US-5849920-A Substituted trifluoromethylpyridines BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0846113-A1 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-06-10 EP disclosed
US-5750705-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed
WO-1997007114-A1 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-27 WO disclosed
EP-0759429-A1 Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles BASF Aktiengesellschaft (DE) 1997-02-26 EP disclosed