SCHEMBL11615652

SCHEMBL11615652

COc1cc2nc(N3CCSCC3)nc(N)c2cc1OC

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
APAF1 O14727 1/20 0.72
ALDH1A1 P00352 1/20 0.72
POLB P06746 1/20 0.72
MAPT P10636 1/20 0.72
HPGD P15428 1/20 0.72
UBE2N P61088 1/20 0.72
ADRA1A P35348 2/20 0.62
ADRA1B P35368 2/20 0.62
ADRA1D P25100 1/20 0.61

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
SCHEMBL31187488 0.90 KDM4E (0.82) KDM4EAPAF1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL29393496 0.89 POLB (0.80) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL11869688 0.87 KDM4E (0.78) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL14877525 0.86 KDM4E (0.76) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL5137299 0.86 KDM4E (0.76) KDM4EAPAF1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL11503536 0.85 POLB (0.74) KDM4EAPAF1ALDH1A1POLBMAPT
Aminodimethoxyquinazolinylpiperazine SCHEMBL32690190 0.84 KDM4E (1.00) KDM4EAPAF1ALDH1A1POLBMAPT
Aminodimethoxyquinazolinylpiperazine SCHEMBL608966 0.84 KDM4E (1.00) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL4113881 0.84 KDM4E (0.72) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL10625551 0.83 KDM4E (0.70) KDM4EAPAF1ALDH1A1POLBMAPT

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
US-4115565-A 6,7-Dimethoxy-2-(4-thiomorpholinyl)-4-quinazolinamine and related sulfoxide and sulfone WARNER-LAMBERT COMPANY (US) 1978-09-19 US claimed
US-4115565-A 6,7-Dimethoxy-2-(4-thiomorpholinyl)-4-quinazolinamine and related sulfoxide and sulfone WARNER-LAMBERT COMPANY (US) 1978-09-19 US disclosed
US-4115565-A 6,7-Dimethoxy-2-(4-thiomorpholinyl)-4-quinazolinamine and related sulfoxide and sulfone WARNER-LAMBERT COMPANY (US) 1978-09-19 US disclosed