SCHEMBL30854933

SCHEMBL30854933

Oc1nc(-c2cn3ncnc3c(Cc3cc(F)ccc3F)n2)ncc1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.34
ALKBH1 Q13686 1/20 0.32
MET P08581 1/20 0.32
KIT P10721 1/20 0.31
RET P07949 1/20 0.30

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
SCHEMBL24714783 1.00 NTRK1 (0.34) NTRK1ALKBH1METKITRET
SCHEMBL22732867 0.88 HPGD (0.33) NTRK1ALKBH1
SCHEMBL29897836 0.85
SCHEMBL24714780 0.85 ENPP1 (0.34) NTRK1ALKBH1
SCHEMBL30854932 0.85 ENPP1 (0.34) NTRK1ALKBH1
SCHEMBL24714365 0.85
SCHEMBL24714366 0.84
SCHEMBL24714781 0.84 ALKBH1 (0.32) ALKBH1MET
SCHEMBL30854937 0.84 ALKBH1 (0.32) ALKBH1MET
SCHEMBL24714448 0.82 ALKBH1 (0.33) NTRK1ALKBH1MET

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