SCHEMBL27035554

SCHEMBL27035554

CC1(c2ccc(Nc3ccc(C(F)(F)F)cc3)c(B3OC(C)(C)C(C)(C)O3)c2)CCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ LIPE Q05469 5/20 0.35
▸ KIF11 P52732 2/20 0.34
▸ HSPA9 P38646 1/20 0.34
▸ PTGIR P43119 1/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ DAO P14920 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ BCDIN3D Q7Z5W3 1/20 0.30

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
SCHEMBL30683308 0.82 JAK2 (0.39) JAK2JAK1TYK2JAK3KIF11
SCHEMBL27035626 0.82 JAK2 (0.39) JAK2JAK1TYK2JAK3KIF11
SCHEMBL27067091 0.78 AKR1C3 (0.42) JAK2JAK1TYK2JAK3KIF11
SCHEMBL27035563 0.77 AKR1C3 (0.41) JAK2JAK1TYK2JAK3KIF11
SCHEMBL31374699 0.77 AKR1C3 (0.41) JAK2JAK1TYK2JAK3KIF11
SCHEMBL27035562 0.77 JAK2 (0.39) JAK2JAK1TYK2JAK3KIF11
SCHEMBL30683302 0.76 JAK2 (0.38) JAK2JAK1TYK2JAK3KIF11
SCHEMBL27035649 0.76 JAK2 (0.38) JAK2JAK1TYK2JAK3KIF11
SCHEMBL22646194 0.76 MAPK1 (0.44) LIPEKIF11AKR1C3AKR1C2DHODH
SCHEMBL27035553 0.76 AKR1C3 (0.42) JAK2JAK1TYK2JAK3KIF11

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
EP-4558485-A1 TEAD INHIBITORS AND METHODS OF USE Sporos Biodiscovery, Inc. (US) 2025-05-28 — — EP disclosed
WO-2024020350-A1 TEAD INHIBITORS AND METHODS OF USE SPOROS BIODISCOVERY, INC. (US) 2024-01-25 — — WO disclosed
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