SCHEMBL29638488

SCHEMBL29638488

Cc1ccc2c(Nc3ccc(CN(C)C)c(C(F)(F)F)c3)nccc2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
GRM4 Q14833 9/20 0.38
PTK2 Q05397 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.35
TNF P01375 2/20 0.34

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
SCHEMBL30559436 0.81 BRAF (0.43) SYKCCNCCDK8
SCHEMBL24399682 0.81 BRAF (0.43) SYKCCNCCDK8
SCHEMBL25374256 0.77 BRAF (0.39) SYKCCNCCDK8HDAC3HDAC1
SCHEMBL29638686 0.75 EGFR (0.52) SYKPOLB
SCHEMBL13960088 0.74 SLC6A4 (0.46)
SCHEMBL23624389 0.72 ABL1 (0.49) TNF
SCHEMBL13686770 0.70 MAPK1 (0.56) POLBTNF
SCHEMBL29638477 0.69 TNF (0.57) TNF
SCHEMBL29638533 0.69 NCOA1 (0.60) TNF
SCHEMBL374483 0.69 CDK5 (0.46) SYKCCNCCDK8

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
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed