SCHEMBL16655292

SCHEMBL16655292

CN(C)C/C=C/CNc1ccc(C(=O)NCC(C)(C)CNc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 13/20 0.48
▸ CCNH P51946 12/20 0.48
▸ EGFR P00533 3/20 0.41
▸ CDK12 Q9NYV4 5/20 0.40
▸ CCNT1 O60563 4/20 0.40
▸ CCNK O75909 4/20 0.40
▸ CDK9 P50750 4/20 0.40
▸ CDK13 Q14004 4/20 0.40
▸ MNAT1 P51948 3/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ MAP3K11 Q16584 2/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ HTR6 P50406 2/20 0.38
▸ TRIM24 O15164 1/20 0.38

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
SCHEMBL18047405 0.93 CDK7 (0.58) CDK7CCNHCDK12CCNT1CCNK
SCHEMBL18047404 0.93 CDK7 (0.58) CDK7CCNHCDK12CCNT1CCNK
SCHEMBL16655060 0.87 CDK7 (0.41) CDK7CCNHEGFRHTR6TRIM24
SCHEMBL17141331 0.80 CDK7 (0.61) CDK7CCNHEGFRCDK12CCNT1
SCHEMBL18047421 0.78 HTR6 (0.47) EGFRHTR6
SCHEMBL15648828 0.76 CDK5 (0.59) CDK7CCNHCDK12CCNT1CCNK
SCHEMBL29174624 0.74 CDK7 (0.58) CDK7CCNHEGFRCDK12CCNT1
SCHEMBL16655057 0.74 CCNK (0.65) CDK7CCNHCDK12CCNT1CCNK
SCHEMBL16655058 0.74 CCNK (0.65) CDK7CCNHCDK12CCNT1CCNK
SCHEMBL18078643 0.74 CDK7 (0.76) CDK7CCNHEGFRCDK12CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 — — WO disclosed
Send feedback