SCHEMBL31020047

SCHEMBL31020047

CN(c1nnc(-c2ccc(C(F)(F)F)cc2OCc2ccccc2)n2ccnc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.45
▸ TRPV1 Q8NER1 1/20 0.39
▸ TACR1 P25103 2/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ USP30 Q70CQ3 3/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ APLNR P35414 1/20 0.35
▸ PTGER1 P34995 1/20 0.35

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 0.85 USP30 (0.43) PRMT5TRPV1TACR1RXRARXRB
SCHEMBL31020118 0.81 HTR2C (0.41) TRPV1RXRARXRBRXRGPTGER1
SCHEMBL31020105 0.79 RXRA (0.38) RXRARXRBRXRGPTGER1BTK
SCHEMBL31020094 0.78 RXRA (0.39) TACR1RXRARXRBRXRGCCNT1
SCHEMBL31032303 0.73 PREP (0.44) PRMT5TACR1RXRARXRBRXRG
SCHEMBL31020062 0.73 IL1B (0.47) HTR6
SCHEMBL31019988 0.73 IL1B (0.47) HTR6
SCHEMBL31020113 0.73 IL1B (0.50) RXRARXRBRXRGBTK
SCHEMBL31034947 0.73 TACR1 (0.42) PRMT5TRPV1TACR1RXRARXRB
SCHEMBL30214845 0.72 TRPV1 (0.40) PRMT5TRPV1TACR1GPR119BTK

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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