SCHEMBL6854091

SCHEMBL6854091

N#Cc1cccc(C(N2CCCC2)n2c(=O)c3cc(Br)ccc3n3cnnc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CRHBP P24387 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APLNR P35414 5/20 0.36
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
CCKBR P32239 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL6854985 0.90 PIK3R1 (0.34) CYP3A4CYP2D6CYP2C19PIK3R1PIK3CA
SCHEMBL6854989 0.89 PIK3R1 (0.33) NPSR1PIK3R1PIK3CA
SCHEMBL6855841 0.89 PIK3R1 (0.33) NPSR1PIK3R1PIK3CA
SCHEMBL6850073 0.79 TRPV1 (0.36) ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL6855259 0.79 USP14 (0.35) CYP3A4CYP2D6CYP2C19
SCHEMBL6850132 0.79 USP14 (0.33) CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL6850047 0.78 HPGD (0.32) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6855687 0.76 CNR2 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL6854445 0.76 SLC6A2 (0.35) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL6855394 0.75 SIGMAR1 (0.34) MEN1KMT2ACYP2C9

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 7 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
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
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
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