SCHEMBL31020094

SCHEMBL31020094

CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3OCc3ccccc3)n3ccnc23)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ TACR1 P25103 3/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ PTGER1 P34995 3/20 0.34
▸ TLR9 Q9NR96 4/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ BTK Q06187 2/20 0.34
▸ SYK P43405 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ ACHE P22303 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
SCHEMBL31020122 0.90 USP30 (0.43) RXRARXRBRXRGCCNT1CCNA2
SCHEMBL31020042 0.88 IL1B (0.38) SYK
SCHEMBL31020113 0.79 IL1B (0.50) RXRARXRBRXRGBTK
SCHEMBL31020047 0.78 PRMT5 (0.45) RXRARXRBRXRGCCNT1CCNA2
SCHEMBL31020065 0.77 IL1B (0.40) RXRARXRBRXRGBTK
SCHEMBL31020067 0.76 HTR2C (0.41) RXRARXRBRXRGBTK
SCHEMBL31020044 0.76 IL1B (0.39) RXRARXRBRXRGBTK
SCHEMBL30080156 0.75 NSD2 (0.37) SYKRORC
SCHEMBL31020078 0.73 IL1B (0.50) —
SCHEMBL31020095 0.73 IL1B (0.50) —

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-4658653-A1 IMIDAZO[1,2-D][1,2,4]TRIAZINES AS NLRP3 INHIBITORS Janssen Pharmaceutica NV (BE) 2025-12-10 — — EP disclosed
WO-2024160692-A1 IMIDAZO[1,2-D][1,2,4]TRIAZINES AS NLRP3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-08-08 — — WO disclosed
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