SCHEMBL725356

SCHEMBL725356

Cn1cc(-c2ccnc3cc(-c4ccc5cn[nH]c5c4)oc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.43
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
METAP2 P50579 1/20 0.40
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
INCENP Q9NQS7 2/20 0.38
TPX2 Q9ULW0 2/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
GRK2 P25098 2/20 0.38
GRK5 P34947 2/20 0.38
TGFBR1 P36897 2/20 0.37
ACVR1B P36896 1/20 0.37
NT5E P21589 1/20 0.37
SYK P43405 1/20 0.37
FGFR1 P11362 4/20 0.36
FGFR2 P21802 1/20 0.36
CCNC P24863 1/20 0.36

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
SCHEMBL724878 0.87 LRRK2 (0.47) BRAFAURKAAURKBINCENPTPX2
SCHEMBL10268949 0.83 AURKB (0.46) AURKAAURKBINCENPTPX2TGFBR1
SCHEMBL721989 0.82 ACVR1 (0.44) AURKAAURKBINCENPTPX2
SCHEMBL724531 0.82 LRRK2 (0.56) BRAFAURKAAURKBINCENPTPX2
SCHEMBL10268110 0.81 MET (0.44) AURKAAURKBINCENPTPX2CCNC
SCHEMBL16817167 0.80 LRRK2 (0.45) AURKAAURKBINCENPTPX2CCNC
SCHEMBL723582 0.80 CLK2 (0.45) AURKAAURKBINCENPTPX2TGFBR1
SCHEMBL725127 0.79 WNT1 (0.42) BRAFAURKAAURKBINCENPTPX2
SCHEMBL722397 0.78 AURKB (0.44) BRAFAURKAAURKBINCENPTPX2
SCHEMBL724102 0.78 AURKB (0.38) AURKAAURKBINCENPTPX2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed