SCHEMBL26629481

SCHEMBL26629481

CCc1cc(N2C[C@H]3C[C@@H]2CN3C(=O)O)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 4/20 0.40
▸ FLT4 P35916 2/20 0.40
▸ ALK Q9UM73 11/20 0.39
▸ LRRK2 Q5S007 2/20 0.38
▸ ULK1 O75385 1/20 0.38
▸ ULK2 Q8IYT8 1/20 0.38
▸ JAK1 P23458 1/20 0.37
▸ CAMK2D Q13557 1/20 0.37

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
SCHEMBL25198593 1.00 PTK2 (0.40) PTK2FLT4ALKLRRK2ULK1
SCHEMBL26629380 0.90 ALK (0.40) PTK2FLT4ALKLRRK2JAK1
SCHEMBL30635595 0.90 ALK (0.43) PTK2FLT4ALKLRRK2
SCHEMBL30412718 0.90 ALK (0.43) PTK2FLT4ALKLRRK2
SCHEMBL26629332 0.89 PTK2 (0.39) PTK2FLT4ALKLRRK2ULK1
SCHEMBL25236453 0.89 PTK2 (0.39) PTK2FLT4ALKLRRK2ULK1
SCHEMBL25227805 0.89 LRRK2 (0.43) ALKLRRK2
SCHEMBL25202448 0.89 LRRK2 (0.43) ALKLRRK2
SCHEMBL26629467 0.89 LRRK2 (0.43) ALKLRRK2
SCHEMBL26629378 0.85 TYK2 (0.39) PTK2FLT4ALKLRRK2JAK1

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
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 — — WO disclosed
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