SCHEMBL30683313

SCHEMBL30683313

CC1(c2ccc(Nc3ccc(C(F)(F)F)cc3)c(-c3cccnn3)c2)CCNC1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.37
▸ YAP1 P46937 1/20 0.37
▸ JAK2 O60674 4/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PDE2A O00408 2/20 0.34
▸ KIF11 P52732 2/20 0.32
▸ HSPA9 P38646 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ PTGIR P43119 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ BCDIN3D Q7Z5W3 1/20 0.31

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
SCHEMBL27035687 1.00 TEAD1 (0.37) TEAD1YAP1JAK2JAK1TYK2
SCHEMBL27035557 0.85 TEAD1 (0.55) TEAD1YAP1JAK2JAK1TYK2
SCHEMBL27035651 0.84 JAK1 (0.42) TEAD1YAP1JAK2JAK1TYK2
SCHEMBL31374685 0.84 JAK1 (0.42) TEAD1YAP1JAK2JAK1TYK2
SCHEMBL30683302 0.81 JAK2 (0.38) TEAD1YAP1JAK2JAK1TYK2
SCHEMBL27035649 0.81 JAK2 (0.38) TEAD1YAP1JAK2JAK1TYK2
SCHEMBL27035551 0.80 TYK2 (0.38) TEAD1YAP1JAK2JAK1TYK2
SCHEMBL27035562 0.80 JAK2 (0.39) TEAD1YAP1JAK2JAK1TYK2
SCHEMBL30683308 0.80 JAK2 (0.39) TEAD1YAP1JAK2JAK1TYK2
SCHEMBL27035626 0.80 JAK2 (0.39) TEAD1YAP1JAK2JAK1TYK2

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-4558485-A1 TEAD INHIBITORS AND METHODS OF USE Sporos Biodiscovery, Inc. (US) 2025-05-28 — — EP disclosed
CN-119497708-A TEAD inhibitors and methods of use 思博睿生物探索公司 2025-02-21 — — CN disclosed
WO-2024020350-A1 TEAD INHIBITORS AND METHODS OF USE SPOROS BIODISCOVERY, INC. (US) 2024-01-25 — — WO disclosed
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