SCHEMBL4753528

SCHEMBL4753528

Nc1nc(N)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
DCPS Q96C86 1/20 0.48

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
SCHEMBL29010947 0.86 DHFR (0.59)
SCHEMBL13123229 0.83 KMT2A (0.44) TDP1POLBMAPTKMT2AATM
SCHEMBL13984040 0.82 DHFR (0.53) MAPTATM
SCHEMBL27180283 0.79 GRIN2D (0.51) TDP1POLBMAPTKMT2A
SCHEMBL6407119 0.79 SMN1; SMN2 (0.48) TDP1POLBMAPTKMT2A
SCHEMBL4753250 0.79 ALDH1A1 (0.56) MAPTKMT2ADCPS
SCHEMBL4755431 0.76 HTT (0.44)
SCHEMBL4755412 0.76 DCPS (0.53) DCPS
Quinazoline-2,4,6-Triamine SCHEMBL30050079 0.75 DCPS (0.57) DCPS
Quinazoline-2,4,6-Triamine SCHEMBL335027 0.75 DCPS (0.57) DCPS

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