SCHEMBL27035649

SCHEMBL27035649

Cc1nnc(-c2cc(C3(C)CCNC3=O)ccc2Nc2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 18)

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
▸ DHODH Q02127 1/20 0.34
▸ PTGIR P43119 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ FLT1 P17948 3/20 0.33
▸ KDR P35968 3/20 0.33
▸ HSPA9 P38646 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ PDE2A O00408 3/20 0.32
▸ TEAD1 P28347 1/20 0.32
▸ YAP1 P46937 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL30683302 1.00 JAK2 (0.38) JAK2JAK1TYK2JAK3DHODH
SCHEMBL27035562 0.85 JAK2 (0.39) JAK2JAK1TYK2JAK3DHODH
SCHEMBL27035687 0.81 TEAD1 (0.37) JAK2JAK1TYK2JAK3DHODH
SCHEMBL30683313 0.81 TEAD1 (0.37) JAK2JAK1TYK2JAK3DHODH
SCHEMBL27035551 0.80 TYK2 (0.38) JAK2JAK1TYK2JAK3DHODH
SCHEMBL27035651 0.79 JAK1 (0.42) JAK2JAK1TYK2JAK3DHODH
SCHEMBL22556454 0.79 ABCG2 (0.38) JAK2JAK1TYK2JAK3PTGIR
SCHEMBL22556451 0.79 ABCG2 (0.38) JAK2JAK1TYK2JAK3PTGIR
SCHEMBL22556584 0.79 ABCG2 (0.38) JAK2JAK1TYK2JAK3PTGIR
SCHEMBL30323425 0.79 ABCG2 (0.38) JAK2JAK1TYK2JAK3PTGIR

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
WO-2024020350-A1 TEAD INHIBITORS AND METHODS OF USE SPOROS BIODISCOVERY, INC. (US) 2024-01-25 — — WO disclosed
WO-2024020350-A1 TEAD INHIBITORS AND METHODS OF USE SPOROS BIODISCOVERY, INC. (US) 2024-01-25 — — WO disclosed
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