SCHEMBL30854932

SCHEMBL30854932

Oc1nc(-c2cn3ncnc3c(Cc3cccc(F)c3)n2)ncc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.34
BRD4 O60885 1/20 0.34
NTRK1 P04629 1/20 0.33
GRIA1 P42261 1/20 0.33
ADCY10 Q96PN6 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALKBH1 Q13686 1/20 0.32
EGFR P00533 2/20 0.32
ERBB2 P04626 2/20 0.32
TGFBR1 P36897 1/20 0.31
MAPK14 Q16539 1/20 0.31
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL24714780 1.00 ENPP1 (0.34) ENPP1BRD4NTRK1GRIA1ADCY10
SCHEMBL24714366 0.90
SCHEMBL30854933 0.85 NTRK1 (0.34) NTRK1ALKBH1
SCHEMBL24714783 0.85 NTRK1 (0.34) NTRK1ALKBH1
SCHEMBL24714781 0.83 ALKBH1 (0.32) ALKBH1TGFBR1MAPK14
SCHEMBL30854937 0.83 ALKBH1 (0.32) ALKBH1TGFBR1MAPK14
SCHEMBL22732867 0.82 HPGD (0.33) BRD4NTRK1ADCY10ALDH1A1KDM4E
SCHEMBL24714970 0.82 GRIA1 (0.38) BRD4GRIA1ADCY10KDM4EKDM4C
SCHEMBL30854939 0.82 GRIA1 (0.38) BRD4GRIA1ADCY10KDM4EKDM4C
SCHEMBL24714365 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957228-A SGC stimulators 帝善多制药公司 2024-04-30 CN disclosed
CN-117915917-A CNS disease treatment using sGC stimulators 帝善多制药公司 2024-04-19 CN disclosed