SCHEMBL5220906

SCHEMBL5220906

Nc1nc(N)c2c(OCCc3cccc(I)c3)cccc2n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 9/20 0.60
DHFR P00374 10/20 0.57
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
KCNH2 Q12809 1/20 0.47

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
SCHEMBL1154710 0.88 DCPS (0.74) DCPSDHFRKCNH2
SCHEMBL1154216 0.86 DCPS (0.75) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL5216762 0.85 DCPS (0.68) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL5218094 0.85 DHFR (0.78) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL5217588 0.83 DCPS (0.58) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL5221300 0.83 DCPS (0.60) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL5220465 0.82 DCPS (0.56) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL5218850 0.82 DCPS (0.61) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL5220989 0.81 DCPS (0.68) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL5224697 0.81 DCPS (0.77) DCPSDHFRCSNK1A1CSNK1DPRKCD

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