SCHEMBL9345248

SCHEMBL9345248

CC(C)Oc1cc(F)nc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
NUDT1 P36639 2/20 0.39
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
TLR8 Q9NR97 1/20 0.34
MAPT P10636 1/20 0.33
ADORA2A P29274 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL6828247 0.86 NUDT1 (0.44) KMT2ANUDT1CDK1CCNB1CCNA2
SCHEMBL3625349 0.80 NUDT1 (0.41) KMT2ANUDT1CDK1CCNB1CCNA2
SCHEMBL8795406 0.78 NUDT1 (0.51) KMT2ANUDT1CDK1CCNB1CCNA2
SCHEMBL8448250 0.78 KMT2A (0.51) KMT2ANUDT1ADORA2APIK3CASMN1; SMN2
SCHEMBL14719221 0.77 KMT2A (0.50) KMT2ANUDT1MAPTSMN1; SMN2POLB
SCHEMBL8446516 0.73 NPC1 (0.54) KMT2ANUDT1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1427693 0.71
SCHEMBL7806796 0.71 KMT2A (0.45) KMT2ANUDT1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL30579455 0.70 NPC1 (0.69) KMT2ANUDT1MAPTADORA2ASMN1; SMN2
SCHEMBL9340477 0.70 KMT2A (0.45) KMT2ANUDT1CDK1CCNB1CCNA2

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-0378089-B1 Method for the preparation of 2-amino-4-fluoropyrimidine derivatives BASF AG (DE) 1994-06-29 EP disclosed
EP-0378092-B1 Herbicidal sulfonyl ureas, process for preparing them and their use BASF AG (DE) 1994-05-11 EP disclosed
US-5011927-A Preparation of 2-amino-4-fluoropyrimidine derivatives BASF AKTIENGESELLSCHAFT (DE) 1991-04-30 US disclosed
EP-0378089-A1 Method for the preparation of 2-amino-4-fluoropyrimidine derivatives BASF Aktiengesellschaft (DE) 1990-07-18 EP disclosed
EP-0378092-A1 Herbicidal sulfonyl ureas, process for preparing them and their use BASF Aktiengesellschaft (DE) 1990-07-18 EP disclosed