SCHEMBL28312445

SCHEMBL28312445

C[Si](C)(C)CCOCn1cc(-c2nc(Cl)ncc2C(F)(F)F)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.44
▸ CDK7 P50613 2/20 0.44
▸ CDK9 P50750 2/20 0.44
▸ CCNH P51946 2/20 0.44
▸ MNAT1 P51948 2/20 0.44
▸ DGAT1 O75907 8/20 0.42
▸ EGFR P00533 4/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ EPHB4 P54760 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ PTPN1 P18031 1/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL29509186 0.87 DGAT1 (0.43) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL21178225 0.87 DGAT1 (0.43) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL21184412 0.85 DGAT1 (0.38) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL29492508 0.83 DGAT1 (0.38) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL25597470 0.83 DGAT1 (0.38) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL25421692 0.82 DGAT1 (0.38) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL30976735 0.82 BUB1 (0.36) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL30439371 0.82 CDK7 (0.43) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL25258483 0.82 CDK7 (0.43) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL21184629 0.81 DGAT1 (0.43) CCNT1CDK7CDK9CCNHMNAT1

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-110036004-A Inhibitors of cyclin dependent kinase 7(CDK7) 希洛斯医药品股份有限公司 2019-07-19 — — CN disclosed
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