SCHEMBL29565225

SCHEMBL29565225

COc1ncc(-c2cc(Cl)c(C)nn2)c(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
HSD11B1 P28845 1/20 0.38
CYP1A2 P05177 1/20 0.38
METAP2 P50579 1/20 0.38
MDM2 Q00987 14/20 0.35
CRHR1 P34998 1/20 0.35
TP53 P04637 6/20 0.35
PLAU P00749 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34

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
SCHEMBL22869317 1.00 QPCT (0.40) QPCTQPCTLHSD11B1CYP1A2METAP2
SCHEMBL24394591 0.81 QPCT (0.38) QPCTQPCTLCYP1A2METAP2MDM2
SCHEMBL29565161 0.81 QPCT (0.38) QPCTQPCTLCYP1A2METAP2MDM2
SCHEMBL23054311 0.79 QPCT (0.38) QPCTQPCTLHSD11B1CYP1A2METAP2
SCHEMBL24185998 0.79 QPCT (0.43) QPCTQPCTLHSD11B1CYP1A2METAP2
SCHEMBL30701653 0.78 QPCT (0.44) QPCTQPCTLHSD11B1CYP1A2METAP2
SCHEMBL22869325 0.78 QPCT (0.44) QPCTQPCTLHSD11B1CYP1A2METAP2
SCHEMBL24185938 0.78 QPCT (0.42) QPCTQPCTLHSD11B1CYP1A2METAP2
SCHEMBL23467386 0.77 QPCT (0.36) QPCTQPCTLHSD11B1CYP1A2METAP2
SCHEMBL24394501 0.77 PLAU (0.40) QPCTQPCTLHSD11B1CYP1A2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4212524-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE Betta Pharmaceuticals Co., Ltd (CN) 2023-07-19 EP disclosed
CN-116348118-A CD73 inhibitor and application thereof in medicine 贝达药业股份有限公司 2023-06-27 CN disclosed
CN-111819173-B CD73 inhibitors 伊莱利利公司 2023-06-06 CN disclosed
CN-116134029-A Oxo-nitrogen ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-05-16 CN disclosed
WO-2022121914-A1 OXO-NITROGEN RING DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-06-16 WO disclosed
CN-114502548-A Crystalline forms of a CD73 inhibitor 伊莱利利公司 2022-05-13 CN disclosed
WO-2022090711-A1 COMPOUNDS AS CD73 INHIBITORS AdoRx Therapeutics Limited (GB) 2022-05-05 WO disclosed