SCHEMBL28490359

SCHEMBL28490359

CN(C)/C=N/c1nccc2c1[nH]c(=O)n2C1CCCN(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.35
▸ EGFR P00533 1/20 0.35
▸ TEC P42680 1/20 0.35
▸ CD69 Q07108 1/20 0.35
▸ JAK2 O60674 4/20 0.33
▸ JAK1 P23458 4/20 0.33
▸ JAK3 P52333 4/20 0.33
▸ KDM6B O15054 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM2A Q9Y2K7 1/20 0.33
▸ KDM3A Q9Y4C1 1/20 0.33
▸ CALCRL Q16602 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PROKR1 Q8TCW9 1/20 0.32

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
SCHEMBL18285530 1.00 BTK (0.35) BTKEGFRTECCD69JAK2
SCHEMBL18285529 1.00 BTK (0.35) BTKEGFRTECCD69JAK2
SCHEMBL18285525 1.00 BTK (0.35) BTKEGFRTECCD69JAK2
SCHEMBL18818279 0.88 HCAR1 (0.41) BTKJAK2JAK1
SCHEMBL18818280 0.88 HCAR1 (0.41) BTKJAK2JAK1
SCHEMBL30111817 0.88 HCAR1 (0.41) BTKJAK2JAK1
SCHEMBL18285718 0.88 HCAR1 (0.41) BTKJAK2JAK1
SCHEMBL18289981 0.88 HCAR1 (0.41) BTKJAK2JAK1
SCHEMBL25466268 0.86 JAK2 (0.33) BTKJAK2JAK1JAK3
SCHEMBL18285554 0.80 BTK (0.45) BTKEGFRTECCD69JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149983-B Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2024-03-29 — — CN disclosed
CN-113149983-A Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2021-07-23 — — CN disclosed
CN-106459049-B Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2020-11-27 — — CN disclosed
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