SCHEMBL30969079

SCHEMBL30969079

COc1nc(-c2cc(SC)ccn2)nc(F)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPP1CA P62136 1/20 0.32
SYK P43405 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP4B1 P13584 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP3A5 P20815 1/20 0.31
CYP2A7 P20853 1/20 0.31
CYP3A7 P24462 1/20 0.31
CYP2F1 P24903 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
SCHEMBL22042743 1.00 GAA (0.36) GAAKMT2AMEN1SMN1; SMN2PPP1CA
SCHEMBL30151314 0.81 CCR1 (0.33) GAAKMT2AMEN1SMN1; SMN2SYK
SCHEMBL30151352 0.80 PRKD1 (0.34) SYK
SCHEMBL25417819 0.80 PRKD1 (0.34) SYK
SCHEMBL22042727 0.79 KDM4E (0.50) SMN1; SMN2SYKCYP1A2
SCHEMBL22042773 0.78 GAA (0.54) GAAKMT2AMEN1SMN1; SMN2PPP1CA
SCHEMBL30151227 0.78 GAA (0.54) GAAKMT2AMEN1SMN1; SMN2PPP1CA
SCHEMBL22042728 0.78 POLB (0.38) GAAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL22042752 0.76 CYP1A1 (0.31) CYP1A2CYP2D6CYP2C9CYP1A1CYP2E1
SCHEMBL28564390 0.76 HTT (0.46) GAAKMT2APPP1CACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251386-A Fluoropyrimidine compound, harmful fungus control agent, and process for producing fluoropyrimidine compound 优迈特株式会社 2024-06-25 CN disclosed