SCHEMBL4004431

SCHEMBL4004431

Nc1nc(N)c2c(OCCCC3CCCCC3)cccc2n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 14/20 0.59
DHFR P00374 5/20 0.59
KCNH2 Q12809 1/20 0.50
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
PRKCD Q05655 1/20 0.49
PAK1 Q13153 1/20 0.49
CAMK2B Q13554 1/20 0.49
CAMK2G Q13555 1/20 0.49
CAMK2D Q13557 1/20 0.49
TAOK1 Q7L7X3 1/20 0.49
MCHR1 Q99705 1/20 0.49
CYP2D6 P10635 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
SCHEMBL4005326 0.96 DCPS (0.58) DCPSDHFRKCNH2CSNK1A1CSNK1D
SCHEMBL4003593 0.94 DCPS (0.60) DCPSDHFRKCNH2MCHR1CYP2D6
SCHEMBL5219977 0.93 DCPS (0.61) DCPSDHFRKCNH2MCHR1CYP2D6
SCHEMBL1154212 0.86 DCPS (0.77) DCPSDHFRMCHR1CYP2D6
SCHEMBL1154891 0.85 DCPS (0.79) DCPSDHFRMCHR1CYP2D6
SCHEMBL1155035 0.82 DCPS (0.79) DCPSDHFRMCHR1CYP2D6
SCHEMBL1154903 0.79 DCPS (0.83) DCPSDHFRCYP2D6
SCHEMBL15284417 0.78 CSNK1A1 (0.74) DCPSDHFRKCNH2CSNK1A1CSNK1D
SCHEMBL2165928 0.78 DCPS (0.71) DCPSDHFRCYP2D6
SCHEMBL15283746 0.77 DCPS (0.57) DCPSDHFRKCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP claimed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO claimed
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
EP-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed