SCHEMBL9709841

SCHEMBL9709841

CCc1cc(Nc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.43
AGTR2 P50052 6/20 0.43
ACP1 P24666 8/20 0.39
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL9709787 0.86 LMNA (0.52) ACP1LMNA
SCHEMBL9709757 0.86 AGTR1 (0.52) AGTR1AGTR2ACP1
SCHEMBL9709673 0.79 PDE4A (0.47) AGTR1AGTR2ACP1
SCHEMBL2142522 0.78 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL29681307 0.78 AGTR1 (0.70) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9206106 0.78 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9709710 0.78 PDE4A (0.51) AGTR1AGTR2ACP1
Hydrochloric Acid SCHEMBL4126842 0.77 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL9709791 0.77 LMNA (0.48) KDRLMNA
SCHEMBL7447901 0.77 AGTR1 (0.41) 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
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO claimed
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed