SCHEMBL9019828

SCHEMBL9019828

CSc1nc(O)cc(OC(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 3/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7586002 0.87 KMT2A (0.39) KMT2ATHRBADORA3ADORA2AMEN1
SCHEMBL10653981 0.81 KMT2A (0.53) KMT2ATHRBMEN1HTTALDH1A1
SCHEMBL9019845 0.79 POLB (0.40) KMT2ATHRBADORA3ADORA2AMEN1
SCHEMBL8182271 0.78 KMT2A (0.45) KMT2ATHRBADORA3ADORA2AMEN1
SCHEMBL537673 0.74 MAPK1 (0.42) KMT2ATHRBMEN1HTTALDH1A1
SCHEMBL11738410 0.74 KMT2A (0.53) KMT2ATHRBADORA3ADORA2AMEN1
SCHEMBL26313098 0.73 MAPK1 (0.33) KMT2ATHRBMEN1GAAMAPK1
SCHEMBL10389212 0.72 MAPK1 (0.41) KMT2ATHRBMEN1HTTALDH1A1
SCHEMBL10389241 0.72 MAPK1 (0.41) KMT2ATHRBMEN1HTTALDH1A1
SCHEMBL28715240 0.72 MAPK1 (0.41) KMT2ATHRBMEN1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2196773-A None JP disclosed
EP-0468069-B1 Process for producing a 4,6-bis(difluoromethoxy)-2-alkylthiopyrimidine ASAHI GLASS CO LTD (JP) 1996-10-02 EP disclosed
EP-0244359-B1 PROCESS FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES CIBA-GEIGY AG (CH) 1992-07-22 EP disclosed
EP-0468069-A1 Process for producing a 4,6-bis(difluoromethoxy)-2-alkylthiopyrimidine ASAHI GLASS COMPANY LTD. (JP) 1992-01-29 EP disclosed
US-5071982-A Process for producing a 4,6-bis(difluoromethoxy)-2-alkylthiopyrimidine ASAHI GLASS CO., LTD. (JP) 1991-12-10 US disclosed
US-5064818-A PESTICIDAL PYRIMIDINYL (THIONO) (THIO)-PHOSPHORIC (PHOSPHONIC)ACID (AMIDE) ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
EP-0395968-A1 (Thiono) (thio)pyrimidyl-phosphonyl (phosphonic) ester (amid) BAYER AG (DE) 1990-11-07 EP disclosed
JP-H02196773-A PRODUCTION OF 4,6-BIS(DIFLUOROMETHOXY)-2-METHYLTHIOPYRIMIDINE KAWAGUCHI KAGAKU KOGYO KK 1990-08-03 JP disclosed
EP-0244359-A2 Process for the preparation of pyrimidine derivatives CIBA-GEIGY AG (CH) 1987-11-04 EP disclosed
US-4692524-A HERBICIDE INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1987-09-08 US disclosed