SCHEMBL9569

SCHEMBL9569

Nc1ncnc2c1ncn2CCCc1oc2ccccc2c(=O)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.50
EGFR P00533 3/20 0.45
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADCY5 O95622 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ADORA1 P30542 2/20 0.41
ERBB2 P04626 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
AURKB Q96GD4 1/20 0.41
ADORA2B P29275 1/20 0.41
NSD2 O96028 1/20 0.40

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
SCHEMBL15688607 0.94 ADORA2A (0.55) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL9275 0.94 NSD2 (0.47) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL9179 0.91 ADORA2A (0.47) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL8993 0.90 NSD2 (0.44) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL29651680 0.88 ADORA2A (0.53) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL8577 0.88 ADORA2A (0.53) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL8117 0.88 ADORA2A (0.49) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL8479 0.87 ADORA2A (0.44) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL8598 0.85 ADORA2A (0.51) ADORA2AEGFRPI4KAPI4K2BPI4K2A
SCHEMBL8575 0.85 ADORA2A (0.46) ADORA2AEGFRPI4KAPI4K2BPI4K2A

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-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed