SCHEMBL29762502

SCHEMBL29762502

CC(C)(C)Nc1cc(I)cc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
RAF1 P04049 1/20 0.40
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
POLB P06746 1/20 0.39
HRH4 Q9H3N8 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
SCHEMBL23275325 1.00 KMT2A (0.43) KMT2AHTTCRHBPCRHR2RAF1
SCHEMBL23275349 0.85 KIF18A (0.48) RAF1PIK3CBPIK3CA
SCHEMBL29762342 0.85 KIF18A (0.48) RAF1PIK3CBPIK3CA
SCHEMBL23299919 0.84 KIF18A (0.48) KMT2AHTTCRHBPCRHR2RAF1
SCHEMBL23299941 0.81 HTT (0.45) KMT2AHTTCRHBPCRHR2GAA
SCHEMBL29762527 0.80 HRH4 (0.47) KMT2AHTTCRHBPCRHR2GAA
SCHEMBL23274807 0.80 HRH4 (0.47) KMT2AHTTCRHBPCRHR2GAA
SCHEMBL29762432 0.79 ADORA2A (0.44) KMT2AGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL23274660 0.79 ADORA2A (0.44) KMT2AGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL23274769 0.78 ADORA2A (0.59) KMT2AGAASMN1; SMN2KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114845711-B Inhibitors of RAF kinase 皮埃尔法布雷医药公司 2024-10-01 CN disclosed
EP-4048259-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-08-31 EP disclosed
CN-114845711-A Inhibitors of RAF kinase 金耐特生物制药公司 2022-08-02 CN disclosed