SCHEMBL9853674

SCHEMBL9853674

CC=Cc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.49
AGTR2 P50052 4/20 0.49
BRD4 O60885 3/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.35
GPR4 P46093 1/20 0.35

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
SCHEMBL9853669 1.00 AGTR1 (0.49) AGTR1AGTR2BRD4PDE4APDE4B
SCHEMBL9853644 0.91 AGTR1 (0.49) AGTR1AGTR2BRD4PDE4APDE4B
SCHEMBL9853642 0.91 AGTR1 (0.49) AGTR1AGTR2BRD4PDE4APDE4B
SCHEMBL9851478 0.85 AGTR1 (0.52) AGTR1AGTR2BRD4PDE4APDE4B
SCHEMBL8972068 0.84 AGTR1 (0.60) AGTR1AGTR2GPR4
SCHEMBL9854484 0.83 AGTR1 (0.49) AGTR1AGTR2BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL8972057 0.82 AGTR1 (0.71) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL8876431 0.81 AGTR1 (0.53) AGTR1AGTR2GPR4
SCHEMBL9854370 0.81 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7622112 0.81 AGTR1 (0.72) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP claimed
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed