SCHEMBL28928229

SCHEMBL28928229

CNC(=O)c1cccc(NC(=O)C=CCN(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 2/20 0.56
▸ CDK14 O94921 5/20 0.55
▸ CCNY Q8ND76 5/20 0.55
▸ MAPK8 P45983 2/20 0.54
▸ MAPK9 P45984 2/20 0.54
▸ MAPK10 P53779 2/20 0.54
▸ PARP1 P09874 2/20 0.53
▸ PARP10 Q53GL7 2/20 0.53
▸ PARP14 Q460N5 1/20 0.53
▸ PIP4K2A P48426 4/20 0.52
▸ PIP4K2B P78356 4/20 0.52
▸ CDK7 P50613 2/20 0.50
▸ CCNH P51946 1/20 0.50
▸ MNAT1 P51948 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ ITK Q08881 2/20 0.49
▸ EGFR P00533 2/20 0.49
▸ BTK Q06187 1/20 0.49
▸ JAK3 P52333 1/20 0.49

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
SCHEMBL30716322 0.87 CREBBP (0.55) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL26696904 0.87 CREBBP (0.55) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL26696906 0.87 CREBBP (0.55) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL30731007 0.86 PARP1 (0.65) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL31069490 0.86 PARP1 (0.65) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL21282715 0.85 IRAK1 (0.57) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL28421380 0.85 IRAK1 (0.57) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL18069738 0.84 PIP4K2A (0.53) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL27461825 0.84 PARP1 (0.52) IRAK1CDK14CCNYMAPK8MAPK9
SCHEMBL21481529 0.83 IRAK1 (0.55) IRAK1CDK14CCNYMAPK8MAPK9

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
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 — — CN claimed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 — — CN disclosed
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