SCHEMBL4755362

SCHEMBL4755362

Nc1nc(N)c2cc(C(=O)Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40

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
SCHEMBL4755444 0.83 ALDH1A1 (0.42)
SCHEMBL4753250 0.82 ALDH1A1 (0.56)
SCHEMBL4755431 0.81 HTT (0.44)
SCHEMBL4755176 0.81 MAPT (0.41)
SCHEMBL4755224 0.78 DHFR (0.52)
SCHEMBL4755522 0.76 KMT2A (0.46)
SCHEMBL4756506 0.75 DHFR (0.50)
SCHEMBL13984040 0.75 DHFR (0.53)
SCHEMBL4753863 0.75 CES2 (0.46)
SCHEMBL4753332 0.74 KMT2A (0.52) PRSS1ACR

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
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO claimed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed