SCHEMBL28915457

SCHEMBL28915457

Cc1cc(-c2nn(C3CCCCO3)c3ncc(-c4ccc(N5CCN(C(=O)O)CC5)cc4)cc23)ccc1CNC(=O)c1cn(C(C)(C)C)nn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.41
▸ CRBN Q96SW2 1/20 0.38
▸ EGFR P00533 3/20 0.33
▸ GLS O94925 5/20 0.32
▸ MAPT P10636 1/20 0.32
▸ BMPR1B O00238 1/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ PPARG P37231 2/20 0.31
▸ PPARD Q03181 2/20 0.31
▸ PPARA Q07869 2/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ KLKB1 P03952 1/20 0.30

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
SCHEMBL26113148 0.93 BTK (0.40) BTKCRBNEGFRMAPT
SCHEMBL26114090 0.86 BTK (0.46) BTKCRBNEGFRGLSMAPT
SCHEMBL28961423 0.81 BTK (0.43) BTKEGFR
SCHEMBL28915516 0.77 BTK (0.38) BTKEGFRMAPT
Hydrochloric Acid SCHEMBL30064453 0.75 BTK (0.48) BTKCRBNBMPR1BACVRL1ACVR1
Hydrochloric Acid SCHEMBL26116546 0.75 BTK (0.48) BTKCRBNBMPR1BACVRL1ACVR1
SCHEMBL23816440 0.74 BTK (0.42) BTKEGFR
SCHEMBL23816148 0.73 BTK (0.39) BTKEGFR
SCHEMBL28915529 0.73 BTK (0.45) BTKEGFR
SCHEMBL23816019 0.70 BTK (0.53) BTKCRBN

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
Send feedback