SCHEMBL6278366

SCHEMBL6278366

COc1cc(OCOCC[Si](C)(C)C)c(C)c(-c2ccc3c(-c4ncc[nH]4)nn(COCC[Si](C)(C)C)c3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
EGFR P00533 1/20 0.32
IGF1R P08069 1/20 0.32
SRC P12931 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
EPHB4 P54760 1/20 0.32
TEK Q02763 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5250505 0.86 CDK4 (0.37) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL6278370 0.81 SCN9A (0.33) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL6493716 0.80 KDM4E (0.41)
SCHEMBL6283758 0.72 KDM4E (0.39)
SCHEMBL5247212 0.67 MAPT (0.36)
SCHEMBL5251150 0.67 KDM4E (0.42) EGFRIGF1RSRCFLT4KDR
SCHEMBL5247274 0.67 DGAT1 (0.34) EGFRIGF1RSRCFLT4KDR
SCHEMBL5247820 0.67 DGAT1 (0.34) EGFRIGF1RSRCFLT4KDR
SCHEMBL7164912 0.66 MAPT (0.36) EGFRIGF1RSRCFLT4KDR
SCHEMBL23620329 0.66 ALOX5AP (0.35)

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
US-6891044-B2 Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed