SCHEMBL9201644

SCHEMBL9201644

C=CCOc1nc(N)nc(OC(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
MGMT P16455 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37

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
SCHEMBL9197449 0.87 MAPT (0.36) MAPTMAPK1CDK1CCNB1MGMT
SCHEMBL11132586 0.86 MAPK1 (0.47) MAPTMAPK1CDK1CCNB1MGMT
SCHEMBL24727889 0.82 MAPT (0.47) MAPTMAPK1CDK1CCNB1MGMT
SCHEMBL9185017 0.80 DHFR (0.32) MAPK1
SCHEMBL7806805 0.77 MEN1 (0.34) MAPK1
SCHEMBL23181 0.75 MAPK1 (0.55) MAPTMAPK1CDK1CCNB1MGMT
SCHEMBL8874711 0.74 CDK1 (0.38) MAPTMAPK1CDK1CCNB1MGMT
SCHEMBL24728017 0.74 MAPT (0.41) MAPTMAPK1CDK1CCNB1MGMT
Hydrogen Sulfide SCHEMBL20395887 0.73 MAPK1 (0.53) MAPTMAPK1CDK1CCNB1MGMT
SCHEMBL14585701 0.73 MEN1 (0.45) MAPTMAPK1CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469460-B1 Herbicidal sulphonylureas, method for their preparation and intermediates BASF AG (DE) 1995-10-18 EP disclosed
US-5188657-A Herbicides consisting of sulfonyl-1,3,5-triazin-2-ylureas BASF AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed
EP-0469460-A1 Herbicidal sulphonylureas, method for their preparation and intermediates BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed