SCHEMBL9068396

SCHEMBL9068396

Cc1c(CO)cnc2nc(N)nc(N)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.60
SLC2A1 P11166 1/20 0.59

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
SCHEMBL8319768 0.84 DHFR (0.64) DHFRSLC2A1
Bromide SCHEMBL9542002 0.83 DHFR (0.63) DHFRSLC2A1
SCHEMBL8454805 0.81 DHFR (0.51) DHFRSLC2A1
SCHEMBL10465515 0.79 DHFR (0.74) DHFRSLC2A1
SCHEMBL5462527 0.79 DHFR (0.58) DHFRSLC2A1
SCHEMBL8468661 0.79 DHFR (0.43) DHFRSLC2A1
SCHEMBL30092875 0.78 DHFR (0.52) DHFRSLC2A1
SCHEMBL27188510 0.78 DHFR (0.52) DHFRSLC2A1
SCHEMBL10052933 0.75 DHFR (0.82) DHFR
SCHEMBL10644399 0.72 DHFR (0.78) DHFR

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
US-4725687-A ANTITUMOR AGENTS; SIDE EFFECT REDUCTION; POTENCY SOUTHERN RESEARCH INSTITUTE (US) 1988-02-16 US claimed
US-5536724-A Antiinflammatory and antineoplastic 5-deazaaminopterins and 5,10-dideazaaminopterins SRI INTERNATIONAL (US) 1996-07-16 US disclosed
EP-0638079-A1 DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION SRI INTERNATIONAL (US) 1995-02-15 EP disclosed
WO-1993022312-A1 DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION SRI INTERNATIONAL (US) 1993-11-11 WO disclosed
US-4725687-A ANTITUMOR AGENTS; SIDE EFFECT REDUCTION; POTENCY SOUTHERN RESEARCH INSTITUTE (US) 1988-02-16 US disclosed