SCHEMBL7002368

SCHEMBL7002368

Cc1ccc2c(c1)c(=O)n(C(c1ccc(C#N)cc1)N1CCCC1)c1nncn21.Cc1ccc2c(c1)c(=O)n(CC=Cc1ccccc1)c1nnc(N(C)C)n21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 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
SCHEMBL6994280 0.87 DHFR (0.31) DHFR
SCHEMBL6850132 0.80 USP14 (0.33)
SCHEMBL7002369 0.80 MAPT (0.39) DHFR
SCHEMBL7002362 0.80 MAPT (0.39) DHFR
SCHEMBL6854144 0.78 DHFR (0.42) DHFR
SCHEMBL6854150 0.78 DHFR (0.42) DHFR
SCHEMBL7507192 0.77
SCHEMBL7463534 0.77
SCHEMBL6994277 0.77 MAPT (0.40) DHFR
SCHEMBL6994283 0.77 MAPT (0.40) DHFR

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
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP claimed
WO-2000066584-B1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2001-02-15 WO claimed