SCHEMBL29129758

SCHEMBL29129758

Cn1ccnc1-c1cccc(COC(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.47
PDK1 Q15118 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
RIPK2 O43353 1/20 0.41
POLB P06746 1/20 0.40
MAPK14 Q16539 1/20 0.40
SMO Q99835 1/20 0.40
NTRK1 P04629 1/20 0.39

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
SCHEMBL28039302 0.81 TGFBR1 (0.46) FFAR1PDK1RIPK2POLB
SCHEMBL21177151 0.78 KARS1 (0.43) FFAR1PDK1RIPK2POLBNTRK1
SCHEMBL7656159 0.75 IDO1 (0.59) POLB
SCHEMBL5868830 0.74 JMJD6 (0.53) RIPK2POLB
SCHEMBL29059534 0.74 PRKCI (0.57) FFAR1
SCHEMBL14412223 0.74 NMT1 (0.52) F2F10RIPK2NTRK1
SCHEMBL29711750 0.73 HSD17B2 (0.48) PDK1RIPK2NTRK1
SCHEMBL18641295 0.73 AGXT (0.61) FFAR1POLB
SCHEMBL2616608 0.73 HSD17B2 (0.48) PDK1RIPK2NTRK1
SCHEMBL9677464 0.72 LMNA (0.48) F2POLB

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-117069728-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2023-11-17 CN disclosed