SCHEMBL30882695

SCHEMBL30882695

NCc1ccc2c(N)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 13/20 0.56
JAK2 O60674 3/20 0.56
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
ROCK1 Q13464 3/20 0.47
PKM P14618 1/20 0.46
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
AURKA O14965 4/20 0.44
TGFBR1 P36897 4/20 0.44
AURKB Q96GD4 4/20 0.44
CHUK O15111 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
KDR P35968 1/20 0.44
SYK P43405 1/20 0.44
JAK3 P52333 1/20 0.44
MAP3K5 Q99683 1/20 0.44

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
SCHEMBL5391597 1.00 PDPK1 (0.56) PDPK1JAK2GAAKDM4ECYP3A4
Hydrochloric Acid SCHEMBL7425346 0.98 PDPK1 (0.55) PDPK1JAK2GAAKDM4ECYP3A4
SCHEMBL27623383 0.86 JAK2 (0.68) PDPK1JAK2ROCK1FGFR1FGFR2
SCHEMBL7214708 0.85 JAK2 (0.56) PDPK1JAK2GAAKDM4ECYP3A4
SCHEMBL2144862 0.83 PDPK1 (0.59) PDPK1JAK2GAAKDM4ECYP3A4
SCHEMBL91579 0.83 PDPK1 (0.55) PDPK1JAK2GAAKDM4ECYP3A4
Hydrochloric Acid SCHEMBL7214665 0.83 JAK2 (0.55) PDPK1JAK2GAAKDM4ECYP3A4
SCHEMBL12124008 0.81 GAA (0.43) PDPK1JAK2GAAROCK1PKM
SCHEMBL7220524 0.81 GAA (0.43) PDPK1JAK2GAAROCK1PKM
SCHEMBL26977245 0.80 PDPK1 (0.51) PDPK1JAK2GAAKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350433-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2025-01-24 CN disclosed
CN-112867706-B MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-11-15 CN disclosed
CN-118373875-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-07-23 CN disclosed
CN-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed