SCHEMBL10967358

SCHEMBL10967358

COc1cc2nc(N3CCN(c4ccnc(Cl)n4)CC3)nc(N)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
KDM4E B2RXH2 1/20 0.60
APAF1 O14727 1/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
UBE2N P61088 1/20 0.60

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
SCHEMBL10969890 0.88 ADRA1A (0.62) ADRA1AADRA1BKDM4EAPAF1ALDH1A1
SCHEMBL11075869 0.84 ADRA1D (0.56) ADRA1AADRA1B
SCHEMBL10967958 0.84 ADRA1A (0.60) ADRA1AADRA1B
SCHEMBL10968133 0.83 KDM4E (0.61) KDM4EAPAF1ALDH1A1POLBMAPT
Water SCHEMBL10614118 0.83 ADRA1D (0.55) ADRA1AADRA1B
Water SCHEMBL10614131 0.83 ADRA1D (0.55) ADRA1AADRA1B
SCHEMBL31187488 0.83 KDM4E (0.82) ADRA1AADRA1BKDM4EAPAF1ALDH1A1
Hydrochloric Acid SCHEMBL29393496 0.82 POLB (0.80) ADRA1AADRA1BKDM4EAPAF1ALDH1A1
SCHEMBL10967477 0.82
SCHEMBL11046159 0.81 KDM4E (0.61) ADRA1AADRA1BKDM4EAPAF1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0055583-B1 ANTIHYPERTENSIVES Pfizer Limited (GB) 1985-08-28 EP disclosed
US-4483859-A 4-Amino-6, 7-dimethoxy-2-(4-heteroaryl-piperazino) quinazoline _antihypertensives PFIZER INC. (US) 1984-11-20 US disclosed
US-4483857-A 4-Amino-6,7-dimethoxy-2-(4-heteroaryl-piperazino)quinazoline antihypertensives PFIZER INC. (US) 1984-11-20 US disclosed
US-4435401-A 4-Amino-6,7-dimethoxy-2-(4-heteroaryl-piperazino)quinazoline antihypertensives PFIZER INC. (US) 1984-03-06 US disclosed
EP-0055583-A1 Antihypertensives Pfizer Limited (GB) 1982-07-07 EP disclosed