SCHEMBL28915459

SCHEMBL28915459

Cc1cc(-c2nn(C(=O)O)c3ncc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)cc23)ccc1CNC(=O)c1noc(C(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.42
▸ JAK2 O60674 2/20 0.40
▸ WNT3A P56704 1/20 0.39
▸ HDAC4 P56524 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LCK P06239 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
SCHEMBL23816211 0.96 BTK (0.43) BTKJAK2WNT3AHDAC4GPR119
SCHEMBL30063447 0.96 BTK (0.43) BTKJAK2WNT3AHDAC4GPR119
SCHEMBL26115894 0.83 BTK (0.42) BTKJAK2HDAC4GPR119JAK3
SCHEMBL30063492 0.81 BTK (0.49) BTKLCK
SCHEMBL23816181 0.81 BTK (0.49) BTKLCK
SCHEMBL28915495 0.80 BTK (0.51) BTKLCK
SCHEMBL28915511 0.80 BTK (0.44) BTKJAK2WNT3AHDAC4GPR119
SCHEMBL29188564 0.79 BTK (0.43) BTKJAK2WNT3AHDAC4GPR119
SCHEMBL24801058 0.79 BTK (0.41) BTKJAK2WNT3AHDAC4GPR119
SCHEMBL23816550 0.78 WNT3A (0.38) BTKJAK2WNT3AGPR119JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335376-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitor with E3 ligase ligand and methods of use thereof 百济神州有限公司 2022-11-11 — — CN disclosed
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