SCHEMBL22008946

SCHEMBL22008946

COc1cc(O)ccc1CNc1nccc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CC2CC1N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.40
▸ GPR119 Q8TDV5 1/20 0.35
▸ EGFR P00533 2/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL21903812 0.95 BTK (0.41) BTKGPR119
SCHEMBL22009288 0.86 BTK (0.35) BTKGPR119OPRK1
SCHEMBL21903726 0.84 BTK (0.38) BTKGPR119
SCHEMBL21903821 0.82 GPR119 (0.37) GPR119
SCHEMBL22008945 0.81 GPR119 (0.33) BTKGPR119
SCHEMBL21965241 0.81 BTK (0.36) BTK
SCHEMBL21965766 0.80 BTK (0.49) BTKEGFR
SCHEMBL31684271 0.80 BTK (0.49) BTKEGFR
SCHEMBL21903689 0.80 BTK (0.49) BTKEGFR
SCHEMBL21903643 0.80 BTK (0.46) BTKEGFROPRK1

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
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