Sugi Predict

Sugi Predict / Compounds / SCHEMBL21386471

SCHEMBL21386471

SCHEMBL21386471

Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)CC[C@@H](CCC(=O)N[C@@H](CCC(=O)CC[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 20/20 0.55
▸ FLT3 P36888 13/20 0.55
▸ KIT P10721 8/20 0.55
▸ CSF1R P07333 4/20 0.55
▸ FLT1 P17948 4/20 0.55
▸ FLT4 P35916 3/20 0.55
▸ LCK P06239 2/20 0.55
▸ RET P07949 3/20 0.45
▸ NTRK3 Q16288 3/20 0.45
▸ NTRK2 Q16620 3/20 0.45
▸ AURKB Q96GD4 3/20 0.45
▸ ALK Q9UM73 3/20 0.45
▸ AURKA O14965 2/20 0.45
▸ MAPK13 O15264 2/20 0.45
▸ DYRK3 O43781 2/20 0.45
▸ ROCK2 O75116 2/20 0.45
▸ RPS6KA5 O75582 2/20 0.45
▸ LYN P07948 2/20 0.45
▸ MET P08581 2/20 0.45
▸ FGFR1 P11362 2/20 0.45

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
SCHEMBL21668596 0.96 KDR (0.59) KDRFLT3KITCSF1RFLT1
SCHEMBL21668632 0.94 KDR (0.61) KDRFLT3KITCSF1RFLT1
SCHEMBL21668630 0.94 KDR (0.61) KDRFLT3KITCSF1RFLT1
SCHEMBL21386462 0.89 KDR (0.52) KDRFLT3KITCSF1RFLT1
SCHEMBL24486691 0.88 KDR (0.53) KDRFLT3KITCSF1RFLT1
SCHEMBL21386460 0.88 KDR (0.53) KDRFLT3KITCSF1RFLT1
SCHEMBL21668600 0.86 KDR (0.54) KDRFLT3KITCSF1RFLT1
SCHEMBL21386487 0.86 KDR (0.54) KDRFLT3KITCSF1RFLT1
SCHEMBL21668626 0.86 KDR (0.56) KDRFLT3KITCSF1RFLT1
SCHEMBL21668595 0.86 KDR (0.58) KDRFLT3KITCSF1RFLT1

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
EP-3543228-A1 COMPOUND HAVING ANTICANCER ACTIVITY, AND PREPARATION METHOD AND APPLICATION THEREOF 3D Medicines (Beijing) Co., Ltd. (CN) 2019-09-25 — — EP disclosed