SCHEMBL31374685

SCHEMBL31374685

CC1(c2ccc(Nc3ccc(C(F)(F)F)cc3)c(-c3cnccn3)c2)CCNC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ TEAD1 P28347 1/20 0.37
▸ YAP1 P46937 1/20 0.37
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ MOGAT2 Q3SYC2 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ BCDIN3D Q7Z5W3 1/20 0.33
▸ HSPA9 P38646 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL27035651 1.00 JAK1 (0.42) JAK1TYK2JAK2JAK3TEAD1
SCHEMBL27035557 0.85 TEAD1 (0.55) JAK1TYK2JAK2JAK3TEAD1
SCHEMBL30683313 0.84 TEAD1 (0.37) JAK1TYK2JAK2JAK3TEAD1
SCHEMBL27035687 0.84 TEAD1 (0.37) JAK1TYK2JAK2JAK3TEAD1
SCHEMBL27035562 0.82 JAK2 (0.39) JAK1TYK2JAK2JAK3TEAD1
SCHEMBL27035626 0.80 JAK2 (0.39) JAK1TYK2JAK2JAK3TEAD1
SCHEMBL30683308 0.80 JAK2 (0.39) JAK1TYK2JAK2JAK3TEAD1
SCHEMBL27035649 0.79 JAK2 (0.38) JAK1TYK2JAK2JAK3TEAD1
SCHEMBL30683302 0.79 JAK2 (0.38) JAK1TYK2JAK2JAK3TEAD1
SCHEMBL27035551 0.79 TYK2 (0.38) JAK1TYK2JAK2JAK3TEAD1

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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