SCHEMBL29635375

SCHEMBL29635375

COc1nc(-c2ncc(F)cn2)nc(F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.30
PPP1CA P62136 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
SCHEMBL22042753 1.00 KMT2A (0.33) KMT2AGPBAR1PPP1CA
SCHEMBL22042755 0.88 ULK1 (0.33) KMT2APPP1CA
SCHEMBL29635357 0.88 ULK1 (0.33) KMT2APPP1CA
Hydrochloric Acid SCHEMBL22042739 0.86
SCHEMBL29635367 0.86 GAA (0.35) KMT2APPP1CA
SCHEMBL22042736 0.86 GAA (0.35) KMT2APPP1CA
SCHEMBL22042745 0.77 CYP1A1 (0.32)
SCHEMBL29635359 0.77 CYP1A1 (0.32)
SCHEMBL22042752 0.77 CYP1A1 (0.31)
SCHEMBL28564390 0.77 HTT (0.46) KMT2AGPBAR1PPP1CA

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-112739689-B Fluorine-containing pyrimidine compound and method for producing same 优迈特株式会社 2022-06-03 CN disclosed