SCHEMBL30002702

SCHEMBL30002702

COc1cc(F)c(N)cc1OCc1c(F)cc(F)c2ccncc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.37
MAOA P21397 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDR P35968 2/20 0.34
FLT1 P17948 1/20 0.34
BRD9 Q9H8M2 2/20 0.33
BRD7 Q9NPI1 2/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
PDPK1 O15530 1/20 0.33
TAF1 P21675 1/20 0.33
TGFBR1 P36897 1/20 0.33
BRPF1 P55201 1/20 0.33
ACVR1 Q04771 1/20 0.33
BPTF Q12830 1/20 0.33

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
SCHEMBL28892670 1.00 KIT (0.37) KITMAOAGAAMAPTSMN1; SMN2
SCHEMBL30002084 0.90 KDR (0.37) KITMAOAGAAMAPTSMN1; SMN2
SCHEMBL28892434 0.90 KDR (0.37) KITMAOAGAAMAPTSMN1; SMN2
SCHEMBL30002556 0.85 MAOA (0.39) KITMAOAGAAMAPTSMN1; SMN2
SCHEMBL28892234 0.85 MAOA (0.39) KITMAOAGAAMAPTSMN1; SMN2
SCHEMBL30002637 0.84 KIT (0.37) KITMAOAGAAMAPTSMN1; SMN2
SCHEMBL28892213 0.84 KIT (0.37) KITMAOAGAAMAPTSMN1; SMN2
SCHEMBL30002412 0.82 MAOA (0.40) KITMAOAGAAMAPTSMN1; SMN2
SCHEMBL28892522 0.82 MAOA (0.40) KITMAOAGAAMAPTSMN1; SMN2
SCHEMBL28959464 0.81 L3MBTL1 (0.40) GAAMAPTSMN1; SMN2TDP1HASPIN

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