SCHEMBL31020105

SCHEMBL31020105

CN1C[C@H](F)C[C@@H](N(C)c2nnc(-c3ccc(C(F)(F)F)cc3OCc3ccccc3)n3ccnc23)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ PTGER1 P34995 6/20 0.33
▸ GPBAR1 Q8TDU6 2/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ BTK Q06187 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PAX8 Q06710 1/20 0.31
▸ ATP4A P20648 1/20 0.31
▸ ATP4B P51164 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
SCHEMBL31020057 0.84 IL1B (0.39) —
SCHEMBL31020063 0.84 IL1B (0.39) —
SCHEMBL31020118 0.82 HTR2C (0.41) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL31020047 0.79 PRMT5 (0.45) RXRARXRBRXRGPTGER1BTK
SCHEMBL31020031 0.76 RXRA (0.46) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL31020113 0.75 IL1B (0.50) RXRARXRBRXRGGRM2BTK
SCHEMBL31020094 0.73 RXRA (0.39) RXRARXRBRXRGPTGER1BTK
SCHEMBL31020062 0.71 IL1B (0.47) —
SCHEMBL31019988 0.71 IL1B (0.47) —
SCHEMBL31020121 0.70 RXRA (0.48) RXRARXRBRXRGCYP11B1CYP11B2

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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