SCHEMBL29727403

SCHEMBL29727403

CCOC(=O)c1cc(F)c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.47
▸ MAP4K4 O95819 2/20 0.45
▸ BTK Q06187 6/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ AURKA O14965 3/20 0.42
▸ PDPK1 O15530 3/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ RET P07949 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL22621309 1.00 F10 (0.47) F10MAP4K4BTKJAK3CA1
SCHEMBL19934556 1.00 F10 (0.47) F10MAP4K4BTKJAK3CA1
SCHEMBL19934557 0.91 MAP4K4 (0.47) F10MAP4K4BTKJAK3CA1
SCHEMBL29727404 0.91 MAP4K4 (0.47) F10MAP4K4BTKJAK3CA1
SCHEMBL22621256 0.91 MAP4K4 (0.47) F10MAP4K4BTKJAK3CA1
SCHEMBL22608005 0.88 MAP4K4 (0.48) F10MAP4K4BTKJAK3CA1
SCHEMBL19926339 0.88 MAP4K4 (0.48) F10MAP4K4BTKJAK3CA1
SCHEMBL4515184 0.86 PIM1 (0.44) F10MAPT
SCHEMBL13713215 0.86 OPRK1 (0.42) F10BTKJAK3CA1CA2
SCHEMBL4514674 0.82 PIM1 (0.40) F10BTKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109923107-B Process for preparing indole carboxamide compounds 百时美施贵宝公司 2022-06-14 — — CN disclosed
Send feedback