SCHEMBL20247366

SCHEMBL20247366

CC(=O)OC(C)(C)c1c(Cl)cncc1Cl

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.34
USP7 Q93009 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.31

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
SCHEMBL31445433 0.71 HCAR2 (0.35) PDE4DUSP7CYP2D6CYP2C19MAPT
SCHEMBL20247365 0.69 CYP11B2 (0.32) MAPTGAA
SCHEMBL21957669 0.66 ALDH1A1 (0.38) CYP2D6CYP2C9TSHRCYP2C19MAPT
SCHEMBL31445314 0.66 PDE4D (0.43) PDE4D
SCHEMBL289111 0.66 MAPT (0.33) MAPT
SCHEMBL17208821 0.66 ATR (0.51) PDE4DMAPTGAA
SCHEMBL536167 0.65 CYP3A4 (0.36) CYP2D6CYP2C9TSHRCYP2C19GAA
SCHEMBL28320432 0.65 CYP19A1 (0.54) TSHRMAPT
SCHEMBL907993 0.65 GAA (0.39) CYP2D6CYP2C9TSHRCYP2C19GAA
SCHEMBL1286681 0.65 USP7 (0.43) PDE4DUSP7MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3333157-B1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS HARBIN ZHENBAO PHARMACEUTICAL CO LTD (CN) 2020-12-23 EP disclosed
EP-3333157-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2018-06-13 EP disclosed