SCHEMBL30827679

SCHEMBL30827679

O=c1c(Cl)cccn1-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP2A6 P11509 2/20 0.45
HTT P42858 2/20 0.45
CYP2E1 P05181 1/20 0.45
EP300 Q09472 1/20 0.42
KAT2B Q92831 1/20 0.42
ELANE P08246 1/20 0.41
CYP11B2 P19099 6/20 0.40
CYP11B1 P15538 5/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 1/20 0.40
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL31310093 0.81 CYP2A6 (0.46) CYP3A4CYP2A6HTTCYP2E1EP300
SCHEMBL31456729 0.79 CYP2A6 (0.53) CYP3A4CYP2A6HTTCYP2E1EP300
SCHEMBL31456679 0.79 CYP3A4 (0.45) CYP3A4CYP2A6HTTCYP2E1EP300
SCHEMBL11500111 0.79 CYP2A6 (0.45) CYP3A4CYP2A6HTTCYP2E1EP300
SCHEMBL27250694 0.79 ELANE (0.41) CYP3A4CYP2A6CYP2E1ELANEALDH1A1
SCHEMBL30995526 0.76 TYK2 (0.38) HTTCYP11B2ALDH1A1MAPT
SCHEMBL31456662 0.76 GAA (0.45) CYP3A4CYP2A6HTTCYP2E1EP300
SCHEMBL21285312 0.76 CYP3A4 (0.45) CYP3A4CYP2A6HTTCYP2E1EP300
SCHEMBL4812121 0.76 ALDH1A1 (0.43) CYP3A4CYP2A6HTTCYP2E1EP300
SCHEMBL10709430 0.76 HTT (0.41) CYP3A4CYP2A6HTTCYP2E1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4590397-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF Astrazeneca AB (SE) 2025-07-30 EP disclosed
CN-119604494-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2025-03-11 CN disclosed
CN-119112897-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2024-12-13 CN disclosed
CN-119119022-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2024-12-13 CN disclosed
CN-119119023-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2024-12-13 CN disclosed
CN-119060040-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2024-12-03 CN disclosed
CN-113574055-B PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2024-07-23 CN disclosed
WO-2024062090-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed