SCHEMBL8322368

SCHEMBL8322368

CCCc1c(CBr)cnc2nc(N)nc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.46
SLC2A1 P11166 1/20 0.45

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
SCHEMBL8322799 0.88 DHFR (0.51) DHFRSLC2A1
SCHEMBL8468661 0.86 DHFR (0.43) DHFRSLC2A1
SCHEMBL8319768 0.79 DHFR (0.64) DHFRSLC2A1
Bromide SCHEMBL9542002 0.78 DHFR (0.63) DHFRSLC2A1
SCHEMBL8324477 0.76 DHFR (0.41) DHFRSLC2A1
SCHEMBL8319699 0.76 KDM4E (0.39) DHFRSLC2A1
SCHEMBL8454805 0.74 DHFR (0.51) DHFRSLC2A1
SCHEMBL5462527 0.71 DHFR (0.58) DHFRSLC2A1
SCHEMBL8323430 0.69 KDM4E (0.42) DHFRSLC2A1
SCHEMBL9068396 0.67 DHFR (0.60) DHFRSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638079-B1 DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION STANFORD RES INST INT (US) 1999-12-15 EP disclosed
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