SCHEMBL30415940

SCHEMBL30415940

CC(C)(C)OC(=O)N1CCC(N2CCC(n3nc(-c4ccc(Oc5ccccc5)c(F)c4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB3 P21860 1/20 0.58
▸ BTK Q06187 16/20 0.56
▸ EGFR P00533 4/20 0.56
▸ LCK P06239 4/20 0.55
▸ SRC P12931 2/20 0.55
▸ KDR P35968 2/20 0.55
▸ TEK Q02763 1/20 0.55
▸ NUDT14 O95848 1/20 0.54
▸ NUDT5 Q9UKK9 1/20 0.54
▸ ITK Q08881 1/20 0.53
▸ PIK3CD O00329 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ HCK P08631 1/20 0.53
▸ PIK3CA P42336 1/20 0.53
▸ PIK3CB P42338 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ PIK3CG P48736 1/20 0.53
▸ EPHB4 P54760 1/20 0.53
▸ PRKDC P78527 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53

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
SCHEMBL24196637 1.00 ERBB3 (0.58) ERBB3BTKEGFRLCKSRC
SCHEMBL24197244 0.97 BTK (0.59) ERBB3BTKEGFRLCKSRC
SCHEMBL24196643 0.96 ERBB3 (0.56) ERBB3BTKEGFRLCKSRC
SCHEMBL24196640 0.95 BTK (0.57) ERBB3BTKEGFRLCKSRC
SCHEMBL24192712 0.94 BTK (0.55) ERBB3BTKEGFRLCKSRC
SCHEMBL18123563 0.93 BTK (0.61) BTKEGFRLCKITKKIT
SCHEMBL30416245 0.91 BTK (0.57) BTKEGFRLCKSRCKDR
SCHEMBL24196614 0.91 BTK (0.57) BTKEGFRLCKSRCKDR
SCHEMBL22720717 0.90 BTK (0.69) BTKEGFRLCKSRCKDR
SCHEMBL22720698 0.90 BTK (0.69) BTKEGFRLCKSRCKDR

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-116134028-A Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2023-05-16 — — CN disclosed
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