SCHEMBL7361328

SCHEMBL7361328

CC(=O)Nc1ncccc1C=Cc1cccc(Nc2ncccc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.42
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
EGFR P00533 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7361323 1.00 ABCG2 (0.42) ABCG2ALDH1A1CA12CA1CA2
SCHEMBL7361610 0.84 EGFR (0.41) ABCG2ALDH1A1CA12CA1CA2
SCHEMBL7361613 0.84 EGFR (0.41) ABCG2ALDH1A1CA12CA1CA2
SCHEMBL7366274 0.83 CA12 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL6793593 0.81 ABCG2 (0.57) ABCG2ALDH1A1CA12CA1CA2
SCHEMBL6796866 0.80 CYP19A1 (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL6796859 0.80 CYP19A1 (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL6797400 0.79 SIRT1 (0.56) ABCG2CA12CA1CA2CA9
SCHEMBL6797393 0.79 SIRT1 (0.56) ABCG2CA12CA1CA2CA9
SCHEMBL13594912 0.79 CA12 (0.45) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed
EP-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO disclosed