SCHEMBL10416191

SCHEMBL10416191

CCCCCOc1ccc(Cc2cnc(N)nc2N)cc1OC

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.77
HTT P42858 1/20 0.77

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
SCHEMBL9657318 0.99 DHFR (0.76) DHFRHTT
SCHEMBL10417667 0.99 DHFR (0.76) DHFRHTT
SCHEMBL10415804 0.99 DHFR (0.76) DHFRHTT
SCHEMBL10488898 0.96 DHFR (0.79) DHFRHTT
SCHEMBL10488971 0.88 DHFR (0.81) DHFRHTT
SCHEMBL10488908 0.88 DHFR (0.85) DHFRHTT
SCHEMBL11396054 0.88 DHFR (0.72) DHFRHTT
Diaveridine SCHEMBL93896 0.88 DHFR (1.00) DHFRHTT
Diaveridine SCHEMBL29527560 0.88 DHFR (1.00) DHFRHTT
SCHEMBL11383945 0.85 DHFR (0.72) DHFRHTT

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
EP-0231888-A2 Substituted 2,4-diamino-5-benzyl pyrimidines, their preparation and their use as medicines having an antimicrobian activity Fatol Arzneimittel GmbH (DE) 1987-08-12 EP claimed
US-4912112-A Substituted 2,4-diamino-5-benzylpyrimidines, their preparation and their use as medicaments with an antimicrobial activity SAARSTICKSTOFF-FATOL GMBH CHEM.-PHARM. FABRIK (DE) 1990-03-27 US disclosed
EP-0231888-A2 Substituted 2,4-diamino-5-benzyl pyrimidines, their preparation and their use as medicines having an antimicrobian activity Fatol Arzneimittel GmbH (DE) 1987-08-12 EP disclosed