SCHEMBL29693602

SCHEMBL29693602

COc1ncc(Br)c(OC)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
ULK1 O75385 1/20 0.38
CYP1A2 P05177 4/20 0.36
CRHR1 P34998 1/20 0.35
METAP2 P50579 1/20 0.35
PLAU P00749 1/20 0.35
EGFR P00533 2/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 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
PI4KB Q9UBF8 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
SCHEMBL322170 1.00 GAA (0.53) GAAQPCTQPCTLULK1CYP1A2
SCHEMBL1697636 0.84 GAA (0.47) GAAULK1CYP1A2CRHR1TSHR
SCHEMBL17826394 0.82 GAA (0.49) GAAULK1CYP1A2
SCHEMBL9195006 0.80 GAA (0.44) GAAQPCTQPCTLCYP1A2PLAU
SCHEMBL21995602 0.79 ALDH1A1 (0.43) GAAULK1CYP1A2TSHRMEN1
SCHEMBL31366250 0.78 GAA (0.40) GAAULK1TSHRALDH1A1KMT2A
SCHEMBL13004012 0.78 GAA (0.40) GAAULK1TSHRALDH1A1KMT2A
SCHEMBL29421576 0.78 CYP1A2 (0.45) GAACYP1A2EGFRPIK3CATSHR
SCHEMBL21224374 0.78 CYP1A2 (0.45) GAACYP1A2EGFRPIK3CATSHR
SCHEMBL16815393 0.78 GAA (0.41) GAAQPCTQPCTLCYP1A2CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121426750-A Synthesis method of 2, 4-dichloro-5-cyclopropyl pyrimidine 凯美克(上海)医药科技有限公司 2026-01-30 CN disclosed
CN-121405637-A Synthesis method of 4-chloro-5-cyclopropyl-2-methoxypyrimidine 上海毕臣生化科技有限公司 2026-01-27 CN disclosed
CN-119775260-A Pyrimidine-2, 4 (1H, 3H) -dione compounds, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2025-04-08 CN disclosed
CN-118666815-A Preparation method of pseudouridine and N1-methyl pseudouridine 南京方生和医药科技有限公司 2024-09-20 CN disclosed
CN-118666815-A Preparation method of pseudouridine and N1-methyl pseudouridine 南京方生和医药科技有限公司 2024-09-20 CN disclosed
WO-2024125451-A1 PIPERINDIN-ONES DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 WO disclosed
EP-4334320-A1 SUBSTITUTED SPIRO DERIVATIVES JANSSEN Pharmaceutica NV (BE) 2024-03-13 EP disclosed
CN-112236416-B Pyrimidine cyclohexenyl glucocorticoid receptor modulators 科赛普特治疗公司 2024-03-01 CN disclosed
CN-117069724-A Fused ring compounds, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-17 CN disclosed
CN-116813475-A Halogenated synthesis method of aromatic ring compound 北京大学 2023-09-29 CN disclosed
WO-2023285788-A1 SULFUR COMPOUNDS AND PROCESSES AND INTERMEDIATES USEFUL IN THE PREPARATION THEREOF OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-01-19 WO disclosed
WO-2022237627-A1 SUBSTITUTED SPIRO DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-11-17 WO disclosed
CN-112004845-B Resin composition, laminate, semiconductor wafer with resin composition layer, substrate, and semiconductor device 三菱瓦斯化学株式会社 2022-05-31 CN disclosed