SCHEMBL30003338

SCHEMBL30003338

COc1cc(F)c(N)cc1OCc1c(F)ccc2ncsc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.37
P2RX7 Q99572 2/20 0.35
KDR P35968 4/20 0.34
ERBB2 P04626 1/20 0.34
EPHA2 P29317 1/20 0.34
RET P07949 6/20 0.32
PIK3CG P48736 1/20 0.32
GNRHR P30968 1/20 0.32
CSF1R P07333 1/20 0.31
KIF5B P33176 4/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FLT1 P17948 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 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
SCHEMBL28892418 1.00 KIT (0.37) KITP2RX7KDRERBB2EPHA2
SCHEMBL30002519 0.83 DHFR (0.37) KITKDREPHA2PIK3CGCSF1R
SCHEMBL29211328 0.83 DHFR (0.37) KITKDREPHA2PIK3CGCSF1R
SCHEMBL28892725 0.81 ALDH1A1 (0.36) P2RX7ALDH1A1MEN1RAB9AKMT2A
SCHEMBL30002458 0.81 ALDH1A1 (0.36) P2RX7ALDH1A1MEN1RAB9AKMT2A
SCHEMBL30002067 0.81 KIT (0.35) KITKDRERBB2EPHA2PIK3CG
SCHEMBL28892774 0.81 KIT (0.35) KITKDRERBB2EPHA2PIK3CG
SCHEMBL28892739 0.79 KIT (0.35) KITRETCSF1RALDH1A1MEN1
SCHEMBL30002396 0.79 KIT (0.35) KITRETCSF1RALDH1A1MEN1
SCHEMBL30003339 0.79 KIT (0.39) KITKDRERBB2EPHA2RET

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