SCHEMBL5284712

SCHEMBL5284712

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)C3CCC(=O)N3)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CDK9 P50750 2/20 0.40
EGFR P00533 1/20 0.39
PARP1 P09874 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGDS O60760 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAMPT P43490 2/20 0.36
BUB1 O43683 1/20 0.36
SLC5A1 P13866 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL5295212 0.93 POLB (0.43) POLBCDK9EGFRPARP1MEN1
SCHEMBL5306255 0.86 ALDH1A1 (0.37) POLBSMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL5280577 0.83 MAPT (0.38) SMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL5280316 0.81 GHSR (0.47) PARP1SMN1; SMN2KDM4E
SCHEMBL5285256 0.80 TP53 (0.48) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2292264 0.79 NPC1 (0.44) POLBEGFRMEN1KMT2ASMN1; SMN2
SCHEMBL2292578 0.78 KDM4E (0.44) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2294478 0.78 NPC1 (0.48) MEN1KMT2ASMN1; SMN2
SCHEMBL2299775 0.78 HTR1E (0.53) MEN1KMT2ATDP1
SCHEMBL2294510 0.78 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2KDM4E

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
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed