SCHEMBL25614496

SCHEMBL25614496

C[Si](C)(C)C#Cc1cncc(-n2ccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
CYP2A6 P11509 1/20 0.42
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP19A1 P11511 3/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ENPP2 Q13822 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
NOTUM Q6P988 1/20 0.37
IDO1 P14902 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL30811694 0.83 GRM5 (0.31)
SCHEMBL29176201 0.83 CYP1A2 (0.30) CYP1A2CYP2C9
SCHEMBL30811735 0.83 CYP1A2 (0.30) CYP1A2CYP2C9
SCHEMBL14299558 0.78 CYP2E1 (0.48) CYP3A4CYP2A6CYP19A1CYP1A2CYP2D6
SCHEMBL25614497 0.78 CYP3A4 (0.47) CYP3A4CYP2A6CYP11B1CYP11B2CYP19A1
SCHEMBL30811647 0.78 CYP3A4 (0.47) CYP3A4CYP2A6CYP11B1CYP11B2CYP19A1
SCHEMBL25614466 0.76 GRM5 (0.31)
SCHEMBL30463031 0.76 CYP3A4 (0.61) CYP3A4CYP2A6CYP11B1CYP11B2CYP19A1
SCHEMBL25614598 0.75 KDM4E (0.40) LMNAMAPTNOTUMMEN1KMT2A
SCHEMBL25614363 0.73 CYP2A6 (0.41) CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104209-A1 METTL3 INHIBITOR COMPOUND 上海昂阔医药有限公司 2023-06-15 WO disclosed