SCHEMBL31374699

SCHEMBL31374699

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ HSPA9 P38646 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.35
▸ PDE2A O00408 6/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ BCDIN3D Q7Z5W3 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ LIPC P11150 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33

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
SCHEMBL27035563 1.00 AKR1C3 (0.41) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035553 0.89 AKR1C3 (0.42) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27067091 0.87 AKR1C3 (0.42) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL30683308 0.82 JAK2 (0.39) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035626 0.82 JAK2 (0.39) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035554 0.77 JAK2 (0.38) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL30683313 0.75 TEAD1 (0.37) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035687 0.75 TEAD1 (0.37) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035562 0.75 JAK2 (0.39) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035651 0.75 JAK1 (0.42) JAK2JAK1TYK2JAK3HSPA9

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
CN-119497708-A TEAD inhibitors and methods of use 思博睿生物探索公司 2025-02-21 — — CN disclosed
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