SCHEMBL31684304

SCHEMBL31684304

COc1ccc(CNc2nccc3c2c(Br)nn3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ PDE9A O76083 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ STS P08842 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ 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
SCHEMBL31684324 1.00 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL15913950 1.00 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL15913949 1.00 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL15929416 0.93 BTK (0.41) BTKEPHX2APLNRMMP1MMP9
SCHEMBL21903794 0.93 CYP1A2 (0.38) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL20645567 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL31125791 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL25649309 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL21903524 0.91 EPHX2 (0.44) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL21903640 0.91 KMT2A (0.42) BTKPDE9AKMT2ADPP7SMN1; SMN2

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-3653626-B1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2025-09-17 — — EP disclosed
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