SCHEMBL29508563

SCHEMBL29508563

C=CC(=O)N(CC)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 1.00
CYP2D6 P10635 1/20 1.00
KCNH2 Q12809 2/20 0.85
ABCB11 O95342 1/20 0.85
EGFR P00533 1/20 0.85
ERBB2 P04626 1/20 0.85
TEC P42680 1/20 0.85
TXK P42681 1/20 0.85
BLK P51451 1/20 0.85
BMX P51813 1/20 0.85
JAK3 P52333 1/20 0.85
ITK Q08881 1/20 0.85
ERBB4 Q15303 1/20 0.85
PI4KB Q9UBF8 1/20 0.85

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
SCHEMBL16754833 1.00 BTK (1.00) BTKCYP2D6KCNH2ABCB11EGFR
SCHEMBL16754812 0.94 BTK (1.00) BTKCYP2D6KCNH2ABCB11EGFR
SCHEMBL30368308 0.94 BTK (1.00) BTKCYP2D6KCNH2ABCB11EGFR
SCHEMBL17770658 0.93 BTK (0.93) BTKCYP2D6KCNH2ABCB11EGFR
Remibrutinib SCHEMBL29564556 0.92 BTK (1.00) BTKCYP2D6KCNH2ABCB11EGFR
Remibrutinib SCHEMBL29377382 0.92 BTK (1.00) BTKCYP2D6KCNH2ABCB11EGFR
Remibrutinib SCHEMBL29395016 0.92 BTK (1.00) BTKCYP2D6KCNH2ABCB11EGFR
Remibrutinib SCHEMBL16754888 0.92 BTK (1.00) BTKCYP2D6KCNH2ABCB11EGFR
SCHEMBL16754897 0.90 BTK (1.00) BTKCYP2D6KCNH2ABCB11EGFR
SCHEMBL29379703 0.90 BTK (1.00) BTKCYP2D6KCNH2ABCB11EGFR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119732956-A NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2025-04-01 CN disclosed
CN-119677725-A NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2025-03-21 CN disclosed
CN-113784957-B NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2025-02-28 CN disclosed
EP-4441085-A2 HIGH SELECTIVE CD229 ANTIGEN BINDING DOMAINS AND METHODS OF USE University of Utah Research Foundation (US) 2024-10-09 EP disclosed
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP disclosed
WO-2023102201-A2 HIGH SELECTIVE CD229 ANTIGEN BINDING DOMAINS AND METHODS OF USE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2023-06-08 WO disclosed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN disclosed
CN-110172056-B Aminopyrimidine derivatives 诺华股份有限公司 2022-04-19 CN disclosed
EP-3969441-A1 NLRP3 INFLAMMASOME INHIBITORS Novartis AG (CH) 2022-03-23 EP disclosed