SCHEMBL87771

SCHEMBL87771

c1ncc2c(n1)NCc1cncn1-2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL30033560 0.70 BRPF1 (0.44) MKNK2
SCHEMBL30032800 0.70
SCHEMBL18865506 0.68
SCHEMBL30033720 0.67 MTOR (0.39)
SCHEMBL22313620 0.66 MEN1 (0.31)
SCHEMBL14518238 0.64
SCHEMBL18388342 0.64 GRIA2 (0.37)
SCHEMBL30033681 0.64 MTOR (0.37)
SCHEMBL26550200 0.62
SCHEMBL3706200 0.61 CYP11B1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129387-B2 Substituted 5,6-dihydroimidazo[1,5-F]pteridines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8129387-B2 Substituted 5,6-dihydroimidazo[1,5-F]pteridines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed