SCHEMBL7218007

SCHEMBL7218007

COc1ccc2[nH]c3ncnc(Cl)c3c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.65
KDM4E B2RXH2 5/20 0.64
POLB P06746 1/20 0.64
EGFR P00533 1/20 0.55
ALDH1A1 P00352 7/20 0.53
HPGD P15428 4/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GFER P55789 2/20 0.53
TSHR P16473 1/20 0.53
ACHE P22303 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
BACE1 P56817 1/20 0.49
BRD4 O60885 1/20 0.48
PDGFRB P09619 1/20 0.46
NPC1 O15118 2/20 0.45

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
SCHEMBL14098811 0.88 AURKA (0.65) AURKAKDM4EPOLBEGFRALDH1A1
SCHEMBL23885556 0.84 EGFR (0.56) AURKAKDM4EPOLBEGFRALDH1A1
SCHEMBL6819912 0.80 GSK3A (0.55) KDM4EPOLBEGFRALDH1A1HPGD
SCHEMBL6881920 0.80 AURKA (0.56) AURKAKDM4EEGFRALDH1A1HPGD
SCHEMBL31219008 0.80 AURKA (0.56) AURKAKDM4EEGFRALDH1A1HPGD
SCHEMBL16009339 0.79 KDM4E (0.57) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL13771457 0.79 AURKA (1.00) AURKAKDM4EPOLBALDH1A1HPGD
SCHEMBL6825302 0.79 NSD2 (0.52) AURKAKDM4EMAPTMAOAMAOB
SCHEMBL6825023 0.78 KDM4E (1.00) KDM4EPOLBALDH1A1HPGDLMNA
SCHEMBL6646398 0.78 AURKA (0.56) AURKAKDM4EALDH1A1HPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed