SCHEMBL30002396

SCHEMBL30002396

COc1cc(F)c(N)cc1OCc1ccc(F)c2scnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.35
CSF1R P07333 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CACNA1C Q13936 1/20 0.31
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RET P07949 2/20 0.31
NTRK1 P04629 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 1/20 0.30
DHFR P00374 1/20 0.30
HTT P42858 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
SCHEMBL28892739 1.00 KIT (0.35) KITCSF1RSMN1; SMN2GAAMAPT
SCHEMBL30002604 0.90 NPC1 (0.34) KITCSF1RSMN1; SMN2GAANPC1
SCHEMBL28892360 0.90 NPC1 (0.34) KITCSF1RSMN1; SMN2GAANPC1
SCHEMBL28892349 0.83 KIT (0.34) KITCSF1RSMN1; SMN2TDP1ALDH1A1
SCHEMBL30002757 0.83 KIT (0.34) KITCSF1RSMN1; SMN2TDP1ALDH1A1
SCHEMBL28892558 0.81 LMNA (0.38) SMN1; SMN2GAAMAPTALDH1A1MEN1
SCHEMBL30002409 0.81 LMNA (0.38) SMN1; SMN2GAAMAPTALDH1A1MEN1
SCHEMBL29211328 0.81 DHFR (0.37) KITCSF1RSMN1; SMN2MAPTMEN1
SCHEMBL30002519 0.81 DHFR (0.37) KITCSF1RSMN1; SMN2MAPTMEN1
SCHEMBL28892774 0.79 KIT (0.35) KITSMN1; SMN2ALDH1A1MEN1KMT2A

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-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed