SCHEMBL7488646

SCHEMBL7488646

O=C(O)c1ccccc1C1=NCCCN1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
F10 P00742 1/20 0.39
MYC P01106 1/20 0.39

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
SCHEMBL7486584 0.95 NISCH (0.50) NISCHGAATSHRKDM4ERAB9A
SCHEMBL1526540 0.90 NISCH (0.60) NISCH
Hydrochloric Acid SCHEMBL11811140 0.85 NISCH (0.49) NISCHGAATSHRTOP2ATOP2B
Hydrochloric Acid SCHEMBL11808118 0.77 NISCH (0.43) NISCHGAATSHR
SCHEMBL11716150 0.77 NISCH (0.55) NISCH
SCHEMBL6746742 0.77 NISCH (0.80) NISCHGAATSHRTOP2ATOP2B
SCHEMBL14046102 0.77 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B
Formic Acid SCHEMBL4823088 0.76 NISCH (0.67) NISCHGAATSHRTOP2ATOP2B
Bromide SCHEMBL11810189 0.76 NISCH (0.54) NISCH
Hydrochloric Acid SCHEMBL11717388 0.76 NISCH (0.54) NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1379777-A Amino-triazolopyridine derivatives HOFFMANN LA ROCHE (CH) 2002-11-13 CN claimed
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP claimed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO claimed
CN-1379777-A Amino-triazolopyridine derivatives HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed