SCHEMBL30412097

SCHEMBL30412097

COC(=O)c1csc(-c2nc(Nc3cc4c(cc3C3CC3)CN(C)CC4)ncc2C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 17/20 0.48
▸ TNK2 Q07912 2/20 0.40
▸ MAP4K3 Q8IVH8 1/20 0.40
▸ LRRK2 Q5S007 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
SCHEMBL25200401 1.00 MAP4K1 (0.48) MAP4K1TNK2MAP4K3LRRK2
SCHEMBL25226508 0.93 MAP4K1 (0.47) MAP4K1TNK2MAP4K3LRRK2
SCHEMBL30412925 0.93 MAP4K1 (0.47) MAP4K1TNK2MAP4K3LRRK2
Hydrochloric Acid SCHEMBL30412709 0.92 MAP4K1 (0.46) MAP4K1TNK2MAP4K3LRRK2
Hydrochloric Acid SCHEMBL25230570 0.92 MAP4K1 (0.46) MAP4K1TNK2MAP4K3LRRK2
SCHEMBL30412433 0.92 MAP4K1 (0.48) MAP4K1
SCHEMBL25226866 0.92 MAP4K1 (0.48) MAP4K1
SCHEMBL25200206 0.91 LRRK2 (0.42) MAP4K1LRRK2
SCHEMBL30410883 0.91 LRRK2 (0.42) MAP4K1LRRK2
SCHEMBL25217872 0.89 LRRK2 (0.42) LRRK2

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
EP-4433059-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF Erasca, Inc. (US) 2024-09-25 — — EP disclosed
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 — — WO disclosed
WO-2023087027-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-05-19 — — WO disclosed
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