SCHEMBL7002369

SCHEMBL7002369

Cc1ccc2c(c1)c(=O)n(CC=Cc1ccccc1)c1nnc(N(C)C)n21.Cc1ccc2c(c1)c(=O)n(Cc1ccc(C#N)cc1)c1nnc(N3CCCC3)n21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
DHFR P00374 3/20 0.37
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL7002362 1.00 MAPT (0.39) MAPTDHFRALDH1A1HSD17B10HPGD
SCHEMBL6994277 0.88 MAPT (0.40) MAPTDHFRALDH1A1LMNATP53
SCHEMBL6994283 0.88 MAPT (0.40) MAPTDHFRALDH1A1LMNATP53
SCHEMBL6850124 0.84 MAPT (0.46) MAPTALDH1A1HSD17B10HPGDTSHR
SCHEMBL6850099 0.84 MAPT (0.40) MAPTDHFRHSD17B10NPSR1LMNA
SCHEMBL6850102 0.84 MAPT (0.40) MAPTDHFRHSD17B10NPSR1LMNA
SCHEMBL6854856 0.83 MAPT (0.40) MAPTDHFRHSD17B10NPSR1LMNA
SCHEMBL6854862 0.83 MAPT (0.40) MAPTDHFRHSD17B10NPSR1LMNA
SCHEMBL6854150 0.82 DHFR (0.42) MAPTDHFRALDH1A1HPGDTP53
SCHEMBL6854144 0.82 DHFR (0.42) MAPTDHFRALDH1A1HPGDTP53

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