SCHEMBL7085728

SCHEMBL7085728

COC(=O)c1ccc(N/C(=C2\C(=O)Nc3ccc(N)cc32)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
PDPK1 O15530 3/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
PLAU P00749 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
AURKA O14965 1/20 0.39
RAF1 P04049 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL7085734 1.00 PTPN1 (0.44) PTPN1PDPK1KMT2AMEN1L3MBTL1
SCHEMBL5787517 0.92 KMT2A (0.45) PTPN1KMT2AMEN1L3MBTL1POLB
SCHEMBL5787511 0.92 KMT2A (0.45) PTPN1KMT2AMEN1L3MBTL1POLB
SCHEMBL7080719 0.89 PDPK1 (0.44) PDPK1KMT2AMEN1L3MBTL1POLB
SCHEMBL7080716 0.89 PDPK1 (0.44) PDPK1KMT2AMEN1L3MBTL1POLB
SCHEMBL7081846 0.89 PDPK1 (0.46) PDPK1KMT2AMEN1ALDH1A1AKT1
SCHEMBL7081841 0.89 PDPK1 (0.46) PDPK1KMT2AMEN1ALDH1A1AKT1
SCHEMBL7082906 0.89 PDPK1 (0.47) PDPK1KMT2AMEN1MAPTRAB9A
SCHEMBL7082903 0.89 PDPK1 (0.47) PDPK1KMT2AMEN1MAPTRAB9A
SCHEMBL7089792 0.88 RET (0.49) PDPK1KMT2AMEN1SMN1; SMN2ALDH1A1

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-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed