SCHEMBL21806145

SCHEMBL21806145

COc1[c]cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.55
RET P07949 4/20 0.55
PLK4 O00444 1/20 0.55
GAK O14976 1/20 0.55
EPHB6 O15197 1/20 0.55
RIPK2 O43353 1/20 0.55
ERN1 O75460 1/20 0.55
STK10 O94804 1/20 0.55
MAP4K4 O95819 1/20 0.55
CHEK2 O96017 1/20 0.55
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
CSF1R P07333 1/20 0.55
YES1 P07947 1/20 0.55
LYN P07948 1/20 0.55
MET P08581 1/20 0.55
HCK P08631 1/20 0.55

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
SCHEMBL21805902 0.90 KDR (0.52) KDRRETPLK4GAKEPHB6
SCHEMBL21806063 0.86 KDR (0.53) KDRRETPLK4GAKEPHB6
SCHEMBL15952729 0.84 KDR (0.73) KDRRETPLK4GAKEPHB6
SCHEMBL21805906 0.82 KDR (0.39) KDRRETPLK4GAKEPHB6
SCHEMBL295771 0.80 KDR (0.63) KDRRETPLK4GAKEPHB6
SCHEMBL295678 0.80 KDR (0.63) KDRRETPLK4GAKEPHB6
SCHEMBL29902465 0.80 KDR (0.63) KDRRETPLK4GAKEPHB6
SCHEMBL30364939 0.80 KDR (0.63) KDRRETPLK4GAKEPHB6
SCHEMBL21886103 0.78 KDR (0.70) KDRRETPLK4GAKEPHB6
SCHEMBL20227313 0.77 KDR (0.54) KDRRETPLK4GAKEPHB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996784-B Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2023-05-30 CN disclosed
CN-112996784-A Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2021-06-18 CN disclosed
WO-2020057403-A1 INDOLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 北京越之康泰生物医药科技有限公司 2020-03-26 WO disclosed