SCHEMBL31037837

SCHEMBL31037837

COc1ccccc1Oc1c(N)nc(Cc2ccc(F)cc2)nc1Cl

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 19/20 0.84
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL31037830 0.92 DHPS (0.86) DHPS
SCHEMBL31037815 0.91 DHPS (1.00) DHPSADORA3ADORA1
SCHEMBL31037805 0.91 DHPS (0.69) DHPS
SCHEMBL31037834 0.91 DHPS (0.84) DHPSADORA3ADORA1
SCHEMBL31037819 0.91 DHPS (0.84) DHPS
SCHEMBL31037826 0.89 DHPS (0.82) DHPSADORA3ADORA1
SCHEMBL31037813 0.89 DHPS (0.77) DHPSADORA3ADORA1
SCHEMBL31037800 0.85 DHPS (0.71) DHPS
SCHEMBL31037803 0.84 DHPS (0.77) DHPSADORA3ADORA1
SCHEMBL31037848 0.82 DHPS (0.70) DHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666758-A Anti-melanoma benzyl pyrimidine compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 CN claimed
CN-118666758-A Anti-melanoma benzyl pyrimidine compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 CN disclosed