SCHEMBL5873768

SCHEMBL5873768

O=C1Nc2ncccc2/C1=C/Nc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
APP P05067 2/20 0.41
SNCA P37840 2/20 0.41
CTRC Q99895 1/20 0.40
RAF1 P04049 1/20 0.38
NTRK1 P04629 1/20 0.38
CYP1A2 P05177 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FLT3 P36888 1/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
ALDH1A1 P00352 3/20 0.32
ENPP1 P22413 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL5873774 1.00 MAPT (0.41) MAPTAPPSNCACTRCRAF1
SCHEMBL5873837 0.84 CCNT1 (0.41) MAPTAPPSNCACTRCRAF1
SCHEMBL5873841 0.84 CCNT1 (0.41) MAPTAPPSNCACTRCRAF1
SCHEMBL5873683 0.82 MAPT (0.38) MAPTNTRK1CYP1A2SMN1; SMN2CCNT1
SCHEMBL5873674 0.82 MAPT (0.38) MAPTNTRK1CYP1A2SMN1; SMN2CCNT1
SCHEMBL5873953 0.82 NTRK1 (0.41) RAF1NTRK1FLT3PGK1PGK2
SCHEMBL5873956 0.82 NTRK1 (0.41) RAF1NTRK1FLT3PGK1PGK2
SCHEMBL5873793 0.81 JAK3 (0.39) NTRK1FLT3CCNT1CDK9CHEK1
SCHEMBL5873796 0.81 JAK3 (0.39) NTRK1FLT3CCNT1CDK9CHEK1
SCHEMBL5873865 0.81 PGK1 (0.32) PGK1PGK2ENPP2DGAT2

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-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
US-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 US disclosed
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 disclosed