SCHEMBL6535381

SCHEMBL6535381

Cc1c[nH]c(=O)c(-c2cccc3ncccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 9/20 0.55
AURKA O14965 1/20 0.47
TTK P33981 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
KDR P35968 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
BMPR1B O00238 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
BMPR1A P36894 1/20 0.41
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
BPTF Q12830 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
CYP1A2 P05177 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
SCHEMBL6535142 0.90 AURKA (0.58) ACVR1AURKATTKAURKBINCENP
SCHEMBL7377865 0.78 ACVR1 (0.55) ACVR1AURKATTKAURKBINCENP
SCHEMBL198641 0.74 MAPT (0.64) ACVR1CA12CA1CA2CA9
SCHEMBL15730741 0.72 ACVR1 (0.50) ACVR1CA12CA1CA2CA9
SCHEMBL6535826 0.72 CHEK1 (0.46) KDRTGFBR1CYP1A2NPC1MAPT
SCHEMBL481906 0.71 ACVR1 (0.48) ACVR1AURKATTKAURKBINCENP
SCHEMBL27771687 0.71 ACVR1 (0.52) ACVR1CA12CA1CA2CA9
SCHEMBL13525175 0.70 ACVR1 (0.54) ACVR1CA12CA1CA2CA9
SCHEMBL28069134 0.70 TGFBR1 (0.66) TGFBR1
SCHEMBL15849388 0.70 GRM2 (0.50) ACVR1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP claimed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP claimed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO claimed
EP-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP disclosed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP disclosed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO disclosed