SCHEMBL22009287

SCHEMBL22009287

COc1cc(O)ccc1CNc1ncc(C)c2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.45
▸ KIT P10721 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ LCK P06239 1/20 0.40
▸ ITK Q08881 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
SCHEMBL22009032 0.89 BTK (0.42) BTKKITFLT3EGFR
SCHEMBL31684267 0.89 BTK (0.45) BTKKITFLT3EGFRLCK
SCHEMBL21903605 0.89 BTK (0.45) BTKKITFLT3EGFRLCK
SCHEMBL21903581 0.89 BTK (0.45) BTKKITFLT3EGFRLCK
SCHEMBL21966562 0.89 BTK (0.45) BTKKITFLT3EGFRLCK
SCHEMBL21903750 0.89 BTK (0.45) BTKKITFLT3EGFRLCK
SCHEMBL21903675 0.89 BTK (0.45) BTKKITFLT3EGFRLCK
SCHEMBL31684311 0.89 BTK (0.45) BTKKITFLT3EGFRLCK
SCHEMBL21903566 0.87 BTK (0.44) BTKKITFLT3EGFRLCK
SCHEMBL24040170 0.87 ITK (0.40) BTKEGFRITK

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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