SCHEMBL22009288

SCHEMBL22009288

COc1cc(O)ccc1CNc1ncc(-c2cnn(C)c2)c2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CC2CC1N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.35
▸ RET P07949 3/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ KDR P35968 3/20 0.32
▸ FGFR3 P22607 2/20 0.32
▸ OPRK1 P41145 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL21965241 0.95 BTK (0.36) BTKRETIRAK1JAK2JAK1
SCHEMBL22008946 0.86 BTK (0.40) BTKGPR119OPRK1
SCHEMBL21903726 0.85 BTK (0.38) BTKGPR119GAA
SCHEMBL21903891 0.82 BTK (0.44) BTKIRAK1
SCHEMBL21903812 0.81 BTK (0.41) BTKGPR119
SCHEMBL28370880 0.80 KDR (0.37) BTKKDRFGFR3
SCHEMBL22009287 0.77 BTK (0.45) BTK
SCHEMBL21903750 0.76 BTK (0.45) BTK
SCHEMBL31684267 0.76 BTK (0.45) BTK
SCHEMBL21965629 0.75 IRAK1 (0.42) BTKRETIRAK1KDRFGFR3

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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