SCHEMBL5429376

SCHEMBL5429376

O=C1Nc2cc(-c3ccccc3)ccc2C1=CNc1ccc(I)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
PDGFRB P09619 6/20 0.47
KDR P35968 7/20 0.46
FLT3 P36888 4/20 0.46
FLT4 P35916 2/20 0.46
KIT P10721 1/20 0.46
CDK2 P24941 2/20 0.44
SRC P12931 2/20 0.43
CHEK1 O14757 5/20 0.42
FGFR1 P11362 4/20 0.42
AURKB Q96GD4 3/20 0.42
MAP4K4 O95819 2/20 0.42
GSK3B P49841 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL5429372 1.00 MAOA (0.51) MAOAMAOBPDGFRBKDRFLT3
SCHEMBL5183182 0.86 MAOA (0.38) MAOAMAOBPDGFRBKDRFLT3
SCHEMBL5183175 0.86 MAOA (0.38) MAOAMAOBPDGFRBKDRFLT3
SCHEMBL7703531 0.83 RET (0.46) PDGFRBKDRFLT3FLT4KIT
SCHEMBL7703527 0.83 RET (0.46) PDGFRBKDRFLT3FLT4KIT
SCHEMBL5435813 0.79 CHEK1 (0.59) MAOAMAOBPDGFRBKDRFLT3
SCHEMBL5435808 0.79 CHEK1 (0.59) MAOAMAOBPDGFRBKDRFLT3
SCHEMBL5432283 0.79 MAOA (0.42) MAOAMAOBPDGFRBKDRFLT3
SCHEMBL5432281 0.79 MAOA (0.42) MAOAMAOBPDGFRBKDRFLT3
SCHEMBL5426677 0.78 MAOA (0.46) MAOAMAOBPDGFRBKDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US claimed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP claimed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO claimed
US-20070213403-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2007-09-13 US disclosed