SCHEMBL30685441

SCHEMBL30685441

CCC(=O)Nc1ncc(C#N)s1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.50
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPK10 P53779 1/20 0.44
KDR P35968 5/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2690664 0.82 FFAR2 (0.53) FFAR2KDRCCNE1CDK2
SCHEMBL15941111 0.82 FFAR2 (0.45) FFAR2SMN1; SMN2MAPK10ALDH1A1
SCHEMBL15940820 0.81 CA12 (0.46) FFAR2SMN1; SMN2MAPK10KMT2AALDH1A1
SCHEMBL6361249 0.77 SMN1; SMN2 (0.61) TP53SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL17353987 0.76 SMN1; SMN2 (0.72) FFAR2TP53SMN1; SMN2MAPK10MEN1
SCHEMBL4394535 0.75 FFAR2 (0.49) FFAR2KDR
SCHEMBL31282374 0.75 FFAR2 (0.52) FFAR2KDRCCNE1CDK2
SCHEMBL23657202 0.74 MAPT (0.57) FFAR2MEN1KMT2ACCNE1CDK2
SCHEMBL21533492 0.74 ALDH1A1 (0.59) ALDH1A1
SCHEMBL20284274 0.73 SMN1; SMN2 (0.46) TP53SMN1; SMN2MAPK10MEN1CYP1A2

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-3853225-B1 N-(5-(3-(1-((THIAZOL-2-YL)AMINO)-1-OXOPROPAN-2-YL)PHENYL)PYRIDIN-2-YL)ACRYLAMIDE DERIVATIVES AS CDK7 INHIBITORS FOR THE TREATMENT OF CANCER YUNGJIN PHARMACEUTICAL CO LTD (KR) 2023-11-29 EP claimed