SCHEMBL20645567

SCHEMBL20645567

Bc1nn(C2CCCN(C(=O)OC(C)(C)C)C2)c2ccnc(NCc3ccc(OC)cc3OC)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ PDE9A O76083 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ STS P08842 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ P2RX3 P56373 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SRC P12931 1/20 0.36

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
SCHEMBL25649309 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2ASTS
SCHEMBL31684324 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2ASTS
SCHEMBL15913949 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2ASTS
SCHEMBL15913950 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2ASTS
SCHEMBL31125791 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2ASTS
SCHEMBL31684304 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2ASTS
SCHEMBL21903689 0.88 BTK (0.49) BTK
SCHEMBL21965766 0.88 BTK (0.49) BTK
SCHEMBL31684271 0.88 BTK (0.49) BTK
SCHEMBL20645517 0.86 MET (0.40) BTKPDE9AKMT2AMAPT

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
WO-2019013562-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 대웅제약 2019-01-17 — — WO disclosed
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