Nintedanib

Nintedanib

SCHEMBL4262453

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1.COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1.O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of Nintedanib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB known ✓ P09619 4/20 0.51
FGFR1 known ✓ P11362 4/20 0.51
KDR known ✓ P35968 4/20 0.51
PDGFRA known ✓ P16234 2/20 0.51
FLT1 known ✓ P17948 2/20 0.51
FGFR2 known ✓ P21802 2/20 0.51
FGFR4 known ✓ P22455 2/20 0.51
FGFR3 known ✓ P22607 2/20 0.51
FLT4 known ✓ P35916 2/20 0.51
AAK1 Q2M2I8 1/20 0.58
ABL1 P00519 1/20 0.51
NTRK1 P04629 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
KIT P10721 1/20 0.51
NTRK3 Q16288 1/20 0.51
MELK Q14680 9/20 0.50
CHEK1 O14757 3/20 0.50
PRKAB2 O43741 3/20 0.50
NUAK1 O60285 3/20 0.50

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
Nintedanib SCHEMBL2376201 1.00 AAK1 (0.58) AAK1PDGFRBFGFR1KDRPDGFRA
Nintedanib SCHEMBL2376199 1.00 AAK1 (0.58) AAK1PDGFRBFGFR1KDRPDGFRA
Nintedanib SCHEMBL4262457 1.00 AAK1 (0.58) AAK1PDGFRBFGFR1KDRPDGFRA
Nintedanib SCHEMBL4543205 0.99 AAK1 (0.58) AAK1PDGFRBFGFR1KDRPDGFRA
Nintedanib SCHEMBL4543201 0.99 AAK1 (0.58) AAK1PDGFRBFGFR1KDRPDGFRA
Nintedanib SCHEMBL4551728 0.99 AAK1 (0.58) AAK1PDGFRBFGFR1KDRPDGFRA
Nintedanib SCHEMBL4551730 0.99 AAK1 (0.58) AAK1PDGFRBFGFR1KDRPDGFRA
Nintedanib SCHEMBL1535871 0.99 AAK1 (0.59) AAK1PDGFRBFGFR1KDRPDGFRA
Nintedanib SCHEMBL431006 0.99 AAK1 (0.59) AAK1PDGFRBFGFR1KDRPDGFRA
Nintedanib SCHEMBL29352914 0.99 AAK1 (0.59) AAK1PDGFRBFGFR1KDRPDGFRA

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
EP-2029533-A2 SALTS AND CRYSTALLINE SALT FORMS OF AN 2-INDOLINONE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2009-03-04 EP claimed
EP-1870400-A1 Salts and crystalline salt forms of an 2-indolinone derivative Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-12-26 EP claimed
WO-2007141283-A2 SALTS AND CRYSTALLINE SALT FORMS OF AN 2-INDOLINONE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 WO claimed