SCHEMBL7002215

SCHEMBL7002215

CN(C)c1nnc2n(Cc3ccc(C#N)cc3)c(=O)c3cc(Br)ccc3n12.Cc1ccc2c(c1)c(=O)n(Cc1cccnc1)c1nnc(N3CCCCCC3)n21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
KDM4E B2RXH2 3/20 0.34
CNR2 P34972 2/20 0.34
AR P10275 1/20 0.34
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 3/20 0.33

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
SCHEMBL7002218 0.84 GABRA1 (0.33) PIK3R1PIK3CAMEN1KMT2ACYP1A2
SCHEMBL6855837 0.83 PIK3R1 (0.44) PIK3R1PIK3CAMEN1KMT2ACYP1A2
SCHEMBL6854824 0.83 PIK3R1 (0.44) PIK3R1PIK3CAMEN1KMT2ACYP1A2
SCHEMBL6854914 0.83 PKM (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6854127 0.83 MAPT (0.43) MAPTKDM4ECNR2HSD17B10ALDH1A1
SCHEMBL6854981 0.82 PIK3R1 (0.45) PIK3R1PIK3CACYP3A4MAPTKDM4E
SCHEMBL6855386 0.82 MAPT (0.44) MAPTKDM4ECNR2HSD17B10ALDH1A1
SCHEMBL6855211 0.82 PKM (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6850124 0.82 MAPT (0.46) PIK3R1PIK3CAMAPTKDM4EHSD17B10
SCHEMBL7002369 0.81 MAPT (0.39) KMT2AMAPTKDM4EHSD17B10ALDH1A1

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 1 patent. 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