SCHEMBL26778400

SCHEMBL26778400

CCc1cc2c(cc1Nc1ncc(C(F)(F)F)c(Cl)n1)CCNC2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.52
▸ PTK2 Q05397 6/20 0.44
▸ ALK Q9UM73 5/20 0.41
▸ FLT4 P35916 2/20 0.39
▸ LRRK2 Q5S007 3/20 0.38
▸ WEE1 P30291 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ TYRO3 Q06418 2/20 0.36
▸ MERTK Q12866 2/20 0.36
▸ AXL P30530 1/20 0.36

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
SCHEMBL24620351 0.78 MAP4K1 (0.51) MAP4K1PTK2ALKWEE1BTK
SCHEMBL30411397 0.78 PTK2 (0.44) MAP4K1PTK2FLT4
SCHEMBL25199604 0.78 PTK2 (0.44) MAP4K1PTK2FLT4
SCHEMBL30412232 0.78 MERTK (0.43) MAP4K1PTK2BTKTYRO3MERTK
SCHEMBL30411174 0.78 MERTK (0.43) MAP4K1PTK2BTKTYRO3MERTK
SCHEMBL25205416 0.78 MERTK (0.43) MAP4K1PTK2BTKTYRO3MERTK
SCHEMBL25204972 0.78 MERTK (0.43) MAP4K1PTK2BTKTYRO3MERTK
SCHEMBL30411785 0.77 LRRK2 (0.42) MAP4K1PTK2FLT4LRRK2TYRO3
SCHEMBL25205942 0.77 LRRK2 (0.42) MAP4K1PTK2FLT4LRRK2TYRO3
SCHEMBL25210979 0.77 MAP4K1 (0.40) MAP4K1PTK2FLT4WEE1BTK

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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