SCHEMBL5190750

SCHEMBL5190750

O=C(O)Cc1nc(-c2cccnc2)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.49
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
KMO O15229 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CYP19A1 P11511 2/20 0.44
GFER P55789 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDGFRB P09619 1/20 0.41
METAP2 P50579 1/20 0.41

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
SCHEMBL19323015 0.80 CYP2A6 (0.46) MAPK1KDM4EALDH1A1CYP19A1CYP3A4
SCHEMBL14736755 0.80 MAPK1 (0.44) MAPK1KDM4EALDH1A1KMOMAPT
SCHEMBL8219898 0.79 GRK6 (0.46) MAPK1KDM4EKMOPOLBMAPT
SCHEMBL5191848 0.78 MAPK1 (0.42) MAPK1ALDH1A1KMOCYP19A1MKNK1
SCHEMBL7686070 0.78 MAPK1 (0.43) MAPK1ALDH1A1CYP19A1MKNK1MKNK2
SCHEMBL5025500 0.78 MAPK1 (0.43) MAPK1ALDH1A1CYP19A1MKNK1MKNK2
SCHEMBL27515966 0.77 KMO (0.51) MAPK1KDM4EALDH1A1KMOCYP19A1
SCHEMBL7066160 0.77 MAPK1 (0.43) MAPK1ALDH1A1MAPTCYP19A1MKNK1
SCHEMBL455756 0.75 MAPK1 (0.42) MAPK1ALDH1A1CYP19A1MKNK1MKNK2
SCHEMBL1133233 0.75 CYP2A6 (0.47) MAPK1ALDH1A1CYP19A1CYP3A4CYP2A6

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-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1471923-A4 AMIDO MACROLIDES KOSAN BIOSCIENCES INC (US) 2006-01-11 EP disclosed
EP-1471923-A1 AMIDO MACROLIDES Kosan Biosciences, Inc. (US) 2004-11-03 EP disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2003061671-A1 AMIDO MACROLIDES KOSAN BIOSCIENCES, INC. (US) 2003-07-31 WO disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed