SCHEMBL6850107

SCHEMBL6850107

CN(C)c1nnc2n(Cc3cccnc3)c(=O)c3cc(Br)ccc3n12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GABRA5 P31644 8/20 0.49
GABRA1 P14867 6/20 0.49
MAPK10 P53779 1/20 0.41
PLK1 P53350 2/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
PARG Q86W56 2/20 0.40
BRD4 O60885 1/20 0.39
SRC P12931 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6849994 0.89 PLK1 (0.48) KMT2AMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL6855341 0.84 MAPT (0.51) PLK1MAPTALDH1A1NPSR1L3MBTL1
SCHEMBL6855953 0.83 MAPT (0.41) PLK1MAPTALDH1A1L3MBTL1
SCHEMBL6850090 0.82 KMT2A (0.36) PKMKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6850093 0.82 KMT2A (0.36) PKMKMT2AMEN1CYP1A2CYP3A4
SCHEMBL7002215 0.81 PIK3R1 (0.36) PKMKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6855211 0.81 PKM (0.49) PKMKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6854427 0.80 PIK3R1 (0.48) PLK1MAPTPARGSRCALDH1A1
SCHEMBL6850084 0.80 MAPT (0.39) PLK1MAPTALDH1A1L3MBTL1
SCHEMBL6849948 0.80 ALDH1A1 (0.41) PLK1MAPTRXFP1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
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 disclosed
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 disclosed
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 disclosed