SCHEMBL30725845

SCHEMBL30725845

C[Si](C)(C)CCOCn1nc(-c2cccnc2)c2cc(NC(=O)c3cccc(C#N)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.48
TEK Q02763 5/20 0.47
GRM5 P41594 6/20 0.46
LRRK2 Q5S007 1/20 0.42
ATR Q13535 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RORC P51449 1/20 0.40
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKCA P17252 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
SCHEMBL29172518 1.00 BRAF (0.48) BRAFTEKGRM5LRRK2ATR
SCHEMBL29172520 0.93 CYP11B1 (0.46) BRAFTEKLRRK2MAPTABL1
SCHEMBL30725852 0.93 CYP11B1 (0.46) BRAFTEKLRRK2MAPTABL1
SCHEMBL29172524 0.90 PRKCA (0.43) MAPTABL1PDGFRBBCRPDGFRA
SCHEMBL30725867 0.89 BRAF (0.45) BRAFTEKKDM4EMAPTABL1
SCHEMBL29172485 0.89 BRAF (0.45) BRAFTEKKDM4EMAPTABL1
SCHEMBL29172517 0.86 CYP11B1 (0.47) KDM4EMAPTABL1PDGFRBBCR
SCHEMBL30725853 0.86 CYP11B1 (0.47) KDM4EMAPTABL1PDGFRBBCR
SCHEMBL30725868 0.86 L3MBTL1 (0.44) MAPT
SCHEMBL29172482 0.86 L3MBTL1 (0.44) MAPT

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
CN-117186066-A Indazole ALK5 inhibitor and preparation method and application thereof 中国药科大学 2023-12-08 CN disclosed