SCHEMBL29083547

SCHEMBL29083547

O=C(O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3cn(S(=O)(=O)c4ccccc4)c4nc(Cl)ccc34)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 9/20 0.46
CDK7 P50613 7/20 0.45
CCNH P51946 7/20 0.45
MNAT1 P51948 7/20 0.45
CCNK O75909 7/20 0.44
CDK12 Q9NYV4 6/20 0.44
CDK2 P24941 7/20 0.44
CCNE1 P24864 5/20 0.44
CCNT1 O60563 4/20 0.44
CDK9 P50750 4/20 0.44
CCNA2 P20248 1/20 0.42
CDK13 Q14004 1/20 0.42
JUN P05412 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL29083562 1.00 MAPK3 (0.46) MAPK3CDK7CCNHMNAT1CCNK
SCHEMBL24583253 0.91 CDK7 (0.43) MAPK3CDK7CCNHMNAT1CCNK
SCHEMBL21178557 0.88 CDK7 (0.44) MAPK3CDK7CCNHMNAT1CCNK
SCHEMBL21178547 0.86 CDK7 (0.49) MAPK3CDK7CCNHMNAT1CCNK
SCHEMBL21178697 0.86 CDK7 (0.42) MAPK3CDK7CCNHMNAT1CCNK
SCHEMBL21178751 0.85 CDK7 (0.46) MAPK3CDK7CCNHMNAT1CCNK
SCHEMBL25420523 0.85 CDK7 (0.46) MAPK3CDK7CCNHMNAT1CCNK
SCHEMBL30865698 0.85 CDK7 (0.59) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25263432 0.84 CCNK (0.49) MAPK3CDK7CCNHMNAT1CCNK
SCHEMBL21178917 0.83 CCNK (0.42) MAPK3CDK7CCNHMNAT1CCNK

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-116670123-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-08-29 CN disclosed