SCHEMBL27167141

SCHEMBL27167141

C[C@H]1CN(C(=O)O)CCN1c1cccc(-c2ccnc3[nH]c(=O)[nH]c23)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.46
▸ ADAMTS5 Q9UNA0 10/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP2 P08253 5/20 0.43
▸ GFER P55789 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ BRD4 O60885 1/20 0.40
▸ SLC6A7 Q99884 1/20 0.40

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
SCHEMBL29135479 0.88 BTK (0.46) BTKADAMTS5SMN1; SMN2MMP2GFER
Hydrochloric Acid SCHEMBL27167131 0.81 BRD4 (0.43) BTKBRD4
Hydrochloric Acid SCHEMBL30057196 0.81 BRD4 (0.43) BTKBRD4
SCHEMBL23777784 0.70 ADAMTS5 (0.56) ADAMTS5SMN1; SMN2MMP2GFERLMNA
SCHEMBL23777622 0.70 GFER (0.70) SMN1; SMN2GFERTP53LMNAMAPT
SCHEMBL23777843 0.70 ADAMTS5 (0.56) ADAMTS5SMN1; SMN2MMP2GFERLMNA
SCHEMBL23777624 0.70 GFER (0.70) SMN1; SMN2GFERTP53LMNAMAPT
SCHEMBL23777709 0.70 GFER (0.70) SMN1; SMN2GFERTP53LMNAMAPT
SCHEMBL23777781 0.70 ADAMTS5 (0.56) ADAMTS5SMN1; SMN2MMP2GFERLMNA
SCHEMBL19876259 0.70 BTK (0.70) BTKBRD4

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
EP-4333982-A1 PKC-THETA MODULATORS Exscientia Al Limited (GB) 2024-03-13 — — EP disclosed
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