SCHEMBL31191085

SCHEMBL31191085

O[C@@H](c1ccnc(COC2CC2)c1)C(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 12/20 0.32
▸ GRIN1 Q05586 12/20 0.32
▸ GRIN2B Q13224 12/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ LPL P06858 1/20 0.30
▸ LIPC P11150 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL31191208 0.75 CYP17A1 (0.38) RXRAGRIN1GRIN2BHTR2CSLC6A4
SCHEMBL31191159 0.74 LPL (0.34) LPLLIPCLIPG
SCHEMBL31191269 0.71 SYK (0.30) SYK
SCHEMBL31191227 0.71 SYK (0.30) SYK
SCHEMBL31191203 0.70 KDM4C (0.48) LPLLIPCLIPGKDM4E
SCHEMBL22637173 0.68 SLC6A2 (0.40) SLC6A4SYK
SCHEMBL22637362 0.67 CYP1A2 (0.37) KDM4EL3MBTL1
SCHEMBL22637359 0.67 CYP1A2 (0.37) KDM4EL3MBTL1
SCHEMBL31191329 0.66 ACACB (0.38) SYK
SCHEMBL31191301 0.65 SYK (0.33) SYK

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-4702025-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-03-04 — — EP disclosed
WO-2024223715-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-10-31 — — WO disclosed
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