SCHEMBL5424704

SCHEMBL5424704

CCn1nccc1N/C=C1/C(=O)Nc2cc(-c3ccco3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.41
TDP2 O95551 2/20 0.38
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 2/20 0.34
RECQL P46063 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAP4K4 O95819 3/20 0.33
GSK3B P49841 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
RPS6KA3 P51812 2/20 0.33
CDC7 O00311 2/20 0.33
ROCK2 O75116 2/20 0.33
CDK2 P24941 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CSF1R P07333 2/20 0.33
PIM1 P11309 2/20 0.32
CHEK1 O14757 3/20 0.32
PDGFRB P09619 2/20 0.31

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
SCHEMBL5424708 1.00 RET (0.41) RETTDP2MAPTALDH1A1KDM4E
SCHEMBL5434452 0.86 MAOA (0.43) RETMAP4K4GSK3BCLK4RPS6KA3
SCHEMBL5434450 0.86 MAOA (0.43) RETMAP4K4GSK3BCLK4RPS6KA3
SCHEMBL7614310 0.83 JAK3 (0.35) RETTDP2MAPTALDH1A1KDM4E
SCHEMBL7614312 0.83 JAK3 (0.35) RETTDP2MAPTALDH1A1KDM4E
SCHEMBL4862659 0.81 EGFR (0.46) MAPTALDH1A1KDM4ENPSR1GSK3B
SCHEMBL4862653 0.81 EGFR (0.46) MAPTALDH1A1KDM4ENPSR1GSK3B
SCHEMBL5421094 0.78 RET (0.40) RETTDP2MAPTALDH1A1KDM4E
SCHEMBL5421090 0.78 RET (0.40) RETTDP2MAPTALDH1A1KDM4E
SCHEMBL5430267 0.76 RET (0.41) RETTDP2MAP4K4GSK3BCLK4

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 2 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
US-20070213403-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2007-09-13 US disclosed