SCHEMBL29660508

SCHEMBL29660508

COc1nc(-c2nc(C(F)(F)F)cs2)nc(F)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TGFBR1 P36897 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
SCHEMBL27199222 1.00 IDH1 (0.38) IDH1MEN1KMT2ATGFBR1
SCHEMBL27199224 0.86 ADORA2A (0.32) MEN1KMT2ATGFBR1
SCHEMBL29660442 0.86 ADORA2A (0.32) MEN1KMT2ATGFBR1
SCHEMBL23334273 0.78 SYK (0.38) KMT2A
SCHEMBL29660483 0.78 SYK (0.38) KMT2A
Hydrochloric Acid SCHEMBL23302365 0.75 PLAU (0.34)
SCHEMBL27199215 0.75 RECQL (0.38) MEN1KMT2A
SCHEMBL29660533 0.75 RECQL (0.38) MEN1KMT2A
SCHEMBL6844976 0.75 GAA (0.43) IDH1MEN1KMT2A
SCHEMBL30151244 0.72 MAPT (0.49) MEN1KMT2A

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
CN-114502551-B Fluorine-containing pyrimidine compound and preparation method thereof 优迈特株式会社 2023-08-22 CN disclosed
EP-4053123-A1 FLUORINATED PYRIMIDINE COMPOUND AND METHOD FOR MANUFACTURING SAME Unimatec Co., Ltd. (JP) 2022-09-07 EP disclosed
CN-114502551-A Fluorine-containing pyrimidine compound and preparation method thereof 优迈特株式会社 2022-05-13 CN disclosed