SCHEMBL25201215

SCHEMBL25201215

CSc1ncc(C(F)(F)F)c(NC2COC2)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 18/20 0.47
▸ ULK2 Q8IYT8 4/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ KIT P10721 1/20 0.40
▸ FLT3 P36888 1/20 0.40

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
SCHEMBL22998017 0.79 ULK1 (0.50) ULK1ULK2CYP1A2LRRK2
SCHEMBL29315926 0.79 ULK1 (0.50) ULK1ULK2KITFLT3
SCHEMBL25236867 0.79 ULK1 (0.42) ULK1ULK2KITFLT3
SCHEMBL30396187 0.79 ULK1 (0.42) ULK1ULK2KITFLT3
SCHEMBL26110421 0.77 MERTK (0.38) CYP1A2
SCHEMBL31357116 0.77 MERTK (0.38) CYP1A2
SCHEMBL25207209 0.76 LRRK2 (0.34) CYP1A2LRRK2
SCHEMBL16835308 0.74 PRKCQ (0.45) ULK1ULK2KITFLT3
SCHEMBL16835307 0.74 PRKCQ (0.45) ULK1ULK2KITFLT3
SCHEMBL16822075 0.74 PRKCQ (0.45) ULK1ULK2KITFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
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