SCHEMBL30907201

SCHEMBL30907201

COc1ccc(CN2CCC(c3cc(C)c(Br)cn3)=N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.37
GAA P10253 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
DCTPP1 Q9H773 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARK7 Q99497 1/20 0.35
NPBWR1 P48145 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 1/20 0.34
HDAC1 Q13547 1/20 0.34
DRD4 P21917 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 1/20 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
SCHEMBL30907168 0.76 DCTPP1 (0.34) DCTPP1
SCHEMBL30907183 0.76 HDAC1 (0.47) DCTPP1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL30907376 0.76 FGFR1 (0.35) GAADCTPP1MEN1KMT2AL3MBTL1
SCHEMBL20489451 0.65 KMT2A (0.52) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL27172033 0.63 KDM4E (0.56) GAADCTPP1L3MBTL1KDM4EALDH1A1
SCHEMBL5459236 0.61 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1MAPTALOX15
SCHEMBL12821489 0.61 LMNA (0.49) GAADCTPP1NPBWR1KDM4EALDH1A1
SCHEMBL21383569 0.60 HDAC1 (0.53) GAASIGMAR1L3MBTL1ALDH1A1ALOX15
SCHEMBL15242958 0.60 KDM4E (0.50) GAASIGMAR1DCTPP1MEN1KMT2A
SCHEMBL27807343 0.60 NPBWR1 (0.51) SIGMAR1NPBWR1KDM4EALDH1A1MAPT

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-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed