SCHEMBL20041267

SCHEMBL20041267

C=C(CC(C)(C)C)Nc1ccc(C(=C)N2CCCC(CNc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ EGFR P00533 10/20 0.39
▸ FLT3 P36888 1/20 0.37
▸ CCNK O75909 4/20 0.36
▸ CDK7 P50613 4/20 0.36
▸ CDK9 P50750 4/20 0.36
▸ CCNH P51946 4/20 0.36
▸ CDK13 Q14004 4/20 0.36
▸ CDK12 Q9NYV4 4/20 0.36
▸ MNAT1 P51948 3/20 0.36
▸ CCNT1 O60563 3/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CDK3 Q00526 1/20 0.36

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
SCHEMBL18068876 0.85 CCNK (0.42) HTR6MERTKBCHEEGFRFLT3
SCHEMBL16655165 0.84 HTR6 (0.46) HTR6MERTKBCHEEGFRCCNK
SCHEMBL16655163 0.83 HTR6 (0.57) HTR6MERTKBCHEEGFRCDK9
SCHEMBL30886776 0.82 HTR6 (0.43) HTR6BCHEEGFRCDK7CDK9
SCHEMBL21234246 0.81 LCK (0.42) HTR6BCHEEGFRCCNKCDK7
SCHEMBL28545899 0.79 EGFR (0.39) HTR6MERTKBCHEEGFRFLT3
Trifluoroacetic Acid SCHEMBL16654807 0.79 HTR6 (0.41) HTR6BCHEEGFRCCNKCDK7
SCHEMBL20041265 0.79 EGFR (0.43) HTR6EGFRCDK7CDK9CCNH
SCHEMBL30886760 0.75 CCNT1 (0.55) HTR6EGFRCCNKCDK7CDK9
SCHEMBL16655454 0.75 CCNT1 (0.55) HTR6EGFRCCNKCDK7CDK9

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
EP-3057955-B1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2018-04-11 — — EP disclosed
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