SCHEMBL5220465

SCHEMBL5220465

Nc1nc(N)c2c(OCCc3cccc(C(F)(F)F)c3)cccc2n1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 11/20 0.56
DHFR P00374 9/20 0.55
KCNH2 Q12809 1/20 0.47
APP P05067 2/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
PRKCD Q05655 1/20 0.47
PAK1 Q13153 1/20 0.47
CAMK2B Q13554 1/20 0.47
CAMK2G Q13555 1/20 0.47
CAMK2D Q13557 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL5225228 0.88 DCPS (0.55) DCPSDHFRKCNH2CSNK1A1CSNK1D
SCHEMBL1155047 0.88 DCPS (0.69) DCPSDHFRKCNH2APPCYP1A2
SCHEMBL5216762 0.85 DCPS (0.68) DCPSDHFRKCNH2CSNK1A1CSNK1D
SCHEMBL1154216 0.83 DCPS (0.75) DCPSDHFRKCNH2CSNK1A1CSNK1D
SCHEMBL5220906 0.82 DCPS (0.60) DCPSDHFRKCNH2CSNK1A1CSNK1D
SCHEMBL5218094 0.82 DHFR (0.78) DCPSDHFRKCNH2CSNK1A1CSNK1D
SCHEMBL5224697 0.81 DCPS (0.77) DCPSDHFRKCNH2CSNK1A1CSNK1D
SCHEMBL5217588 0.81 DCPS (0.58) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL5221300 0.80 DCPS (0.60) DCPSDHFRKCNH2CSNK1A1CSNK1D
SCHEMBL5218850 0.79 DCPS (0.61) DCPSDHFRKCNH2CSNK1A1CSNK1D

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 5 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
WO-2012167086-A2 METHODS OF DIAGNOSING AND TREATING AMYOTROPHIC LATERAL SCLEROSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-12-06 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