SCHEMBL4135700

SCHEMBL4135700

Nc1nc(N)c2c(N3CCN(C4=C(Cl)[CH]CC=C4Cl)CC3)cccc2n1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 6/20 0.45
DHFR P00374 7/20 0.38
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1432014 0.76 DCPS (0.51) DCPSDHFRKCNH2
SCHEMBL1154558 0.75 DCPS (0.50) DCPSDHFRKCNH2
SCHEMBL2165421 0.72 NCF1 (0.49) DCPSDHFR
SCHEMBL2165907 0.72 DCPS (0.49) DCPSDHFR
SCHEMBL2165351 0.72 DHFR (0.62) DCPSDHFR
SCHEMBL12404416 0.72 DCPS (0.48) DCPSDHFRKCNH2
SCHEMBL2166082 0.71 DCPS (0.58) DCPSDHFR
SCHEMBL2167390 0.70 ALDH1A1 (0.64) DCPSDHFR
SCHEMBL2166066 0.70 ALDH1A1 (0.51) DCPS
SCHEMBL2166369 0.70 NPSR1 (0.53) DCPSDHFR

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
EP-2069316-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2009-06-17 EP disclosed
WO-2008016973-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2008-02-07 WO disclosed