SCHEMBL7463540

SCHEMBL7463540

CN(C)C(=O)Cc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCC4)nnc23)cc1.Cc1ccc2c(c1)c(=S)n(CC=Cc1cccnc1)c1nnc(N(C)C)n21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 2/20 0.30
RXFP1 Q9HBX9 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL7457561 0.94 RXFP1 (0.31) ALDH1A1HPGDTSHRNPSR1HSD17B10
SCHEMBL7507189 0.94 RXFP1 (0.31) ALDH1A1HPGDTSHRNPSR1HSD17B10
SCHEMBL7463534 0.85
SCHEMBL7460776 0.81 KDM4E (0.32) ALDH1A1HPGDTSHRNPSR1HSD17B10
SCHEMBL6999028 0.80 KMT2A (0.34) ALDH1A1MAPTDHFR
SCHEMBL6999029 0.80 KMT2A (0.34) ALDH1A1MAPTDHFR
SCHEMBL7463931 0.80 PIK3R1 (0.34)
SCHEMBL7507192 0.79
SCHEMBL6855392 0.79 MAPT (0.38) ALDH1A1HPGDTSHRNPSR1HSD17B10
SCHEMBL6854470 0.78 KMT2A (0.34) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543199-A 2002-12-17 JP claimed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP claimed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO claimed