SCHEMBL22009418

SCHEMBL22009418

COc1ccc(CNc2nccc3c2c(-c2ccc(Oc4ccccc4)cc2)nn3C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.46
▸ OPRK1 P41145 1/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ BCHE P06276 2/20 0.37
▸ HTR6 P50406 2/20 0.37

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
SCHEMBL31684271 0.89 BTK (0.49) BTK
SCHEMBL21903689 0.89 BTK (0.49) BTK
SCHEMBL21965766 0.89 BTK (0.49) BTK
SCHEMBL21903643 0.85 BTK (0.46) BTKOPRK1
SCHEMBL31684327 0.81 BTK (0.44) BTK
SCHEMBL21965243 0.81 BTK (0.44) BTK
SCHEMBL21903785 0.81 BTK (0.52) BTK
SCHEMBL21903789 0.81 BTK (0.52) BTK
SCHEMBL21903812 0.80 BTK (0.41) BTK
SCHEMBL21903675 0.80 BTK (0.45) BTK

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-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2020-05-20 — — EP disclosed
Send feedback