SCHEMBL10488971

SCHEMBL10488971

COCCOc1ccc(Cc2cnc(N)nc2N)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.81
HTT P42858 1/20 0.81
NTRK1 P04629 1/20 0.71
CSF1R P07333 1/20 0.71
NTRK3 Q16288 1/20 0.71
NTRK2 Q16620 1/20 0.71

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
Diaveridine SCHEMBL93896 0.90 DHFR (1.00) DHFRHTTNTRK1CSF1RNTRK3
Diaveridine SCHEMBL29527560 0.90 DHFR (1.00) DHFRHTTNTRK1CSF1RNTRK3
SCHEMBL10488898 0.89 DHFR (0.79) DHFRHTTNTRK1CSF1RNTRK3
SCHEMBL11397831 0.89 DHFR (0.74) DHFRHTTNTRK1CSF1RNTRK3
SCHEMBL10416191 0.88 DHFR (0.77) DHFRHTT
SCHEMBL10488908 0.88 DHFR (0.85) DHFRHTTNTRK1CSF1RNTRK3
SCHEMBL10415804 0.87 DHFR (0.76) DHFRHTT
SCHEMBL10417667 0.87 DHFR (0.76) DHFRHTT
SCHEMBL9657318 0.87 DHFR (0.76) DHFRHTT
SCHEMBL11383945 0.85 DHFR (0.72) DHFRHTTNTRK1CSF1RNTRK3

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-4883798-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY, ANTIANGINAL AND ANTIOXIDANT AGENT EGIS GYOGYSZERGYAR (HU) 1989-11-28 US claimed
US-4883798-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY, ANTIANGINAL AND ANTIOXIDANT AGENT EGIS GYOGYSZERGYAR (HU) 1989-11-28 US disclosed
EP-0301428-A2 Benzyldiaminopyrimidine derivatives and their use as medicaments EGIS GYOGYSZERGYAR (HU) 1989-02-01 EP disclosed