SCHEMBL5222717

SCHEMBL5222717

Cc1ccccc1OCc1cccc2nc(N)nc(N)c12

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 12/20 0.73
DHFR P00374 9/20 0.73
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
PRKCD Q05655 1/20 0.58
PAK1 Q13153 1/20 0.58
CAMK2B Q13554 1/20 0.58
CAMK2G Q13555 1/20 0.58
CAMK2D Q13557 1/20 0.58
TAOK1 Q7L7X3 1/20 0.58
KCNH2 Q12809 1/20 0.50

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
SCHEMBL1155042 0.90 DHFR (0.73) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL1155329 0.85 DCPS (0.74) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL1155301 0.84 DCPS (1.00) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL1154712 0.84 DHFR (0.67) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL1154838 0.82 DHFR (0.73) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL1154646 0.80 DHFR (0.65) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL1154761 0.79 DHFR (1.00) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL1154525 0.79 DCPS (0.81) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL1155025 0.79 DHFR (0.73) DCPSDHFRCSNK1A1CSNK1DPRKCD
SCHEMBL1154405 0.79 DHFR (0.73) 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 2 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 disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed