SCHEMBL7544601

SCHEMBL7544601

COc1ccc(Oc2cc(N)n3nc(-c4ccco4)nc3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.58
F2 P00734 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7431148 0.91 ADORA2A (0.51) ADORA2A
SCHEMBL7708567 0.89 ADORA2A (0.51) ADORA2A
SCHEMBL7709135 0.86 ADORA2A (0.58) ADORA2AF2POLBHPGDKMT2A
SCHEMBL7432349 0.82 ADORA2A (0.49) ADORA2A
SCHEMBL7426882 0.82 ADORA2A (0.52) ADORA2A
SCHEMBL7486137 0.81 ADORA2A (0.54) ADORA2A
SCHEMBL7703121 0.80 ADORA2A (0.62) ADORA2ASMN1; SMN2
SCHEMBL7709129 0.80 ADORA2A (0.56) ADORA2A
SCHEMBL6625057 0.79 ADORA2A (0.67) ADORA2A
SCHEMBL6870639 0.77 ADORA2A (0.59) ADORA2ASMN1; SMN2

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
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
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed