SCHEMBL5873674

SCHEMBL5873674

O=C1Nc2cccnc2/C1=C/Nc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NTRK1 P04629 2/20 0.38
NTRK3 Q16288 2/20 0.38
NTRK2 Q16620 2/20 0.38
GSK3B P49841 2/20 0.38
KDR P35968 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AURKA O14965 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL5873683 1.00 MAPT (0.38) MAPTMEN1KMT2ANTRK1NTRK3
SCHEMBL5873934 0.84 CCNT1 (0.39) MAPTMEN1KMT2ANTRK1NTRK3
SCHEMBL5873933 0.84 CCNT1 (0.39) MAPTMEN1KMT2ANTRK1NTRK3
SCHEMBL5873768 0.82 MAPT (0.41) MAPTNTRK1CCNT1CDK9CHEK1
SCHEMBL5873774 0.82 MAPT (0.41) MAPTNTRK1CCNT1CDK9CHEK1
SCHEMBL5873875 0.80 MAPT (0.42) MAPTMEN1KMT2ANTRK1NTRK3
SCHEMBL5873877 0.80 MAPT (0.42) MAPTMEN1KMT2ANTRK1NTRK3
SCHEMBL5873940 0.76 KDR (0.38) MAPTMEN1KMT2ANTRK1NTRK3
SCHEMBL5873937 0.76 KDR (0.38) MAPTMEN1KMT2ANTRK1NTRK3
SCHEMBL5446271 0.76 NPC1 (0.45) MAPTMEN1KMT2ANTRK1NTRK3

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