SCHEMBL9846245

SCHEMBL9846245

COc1cc(-c2ccccn2)nc(-c2ccccn2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
KDM4E B2RXH2 5/20 0.57
TDP1 Q9NUW8 2/20 0.57
FFAR1 O14842 4/20 0.55
MAPK1 P28482 2/20 0.49
CCR1 P32246 3/20 0.49
CCR5 P51681 3/20 0.49
CCR8 P51685 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALOX15 P16050 2/20 0.49
LMNA P02545 2/20 0.48
BLM P54132 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
GPR39 O43194 1/20 0.48
SMN1; SMN2 Q16637 3/20 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
SCHEMBL9487590 0.84 GAA (0.61) GAAKDM4ETDP1FFAR1L3MBTL1
SCHEMBL29781506 0.83 NPC1 (0.64) GAAKDM4ETDP1FFAR1MAPK1
SCHEMBL21801321 0.83 NPC1 (0.64) GAAKDM4ETDP1FFAR1MAPK1
SCHEMBL7152644 0.81 KDM4E (0.77) GAAKDM4ETDP1MAPK1CCR1
SCHEMBL28020326 0.81 GAA (0.57) GAAKDM4ETDP1FFAR1L3MBTL1
SCHEMBL29727932 0.77 KDM4E (0.63) GAAKDM4ETDP1FFAR1MAPK1
SCHEMBL20916320 0.77 KDM4E (0.63) GAAKDM4ETDP1FFAR1MAPK1
SCHEMBL197885 0.77 HSP90AA1 (0.66) GAAKDM4ETDP1FFAR1MAPK1
SCHEMBL19047220 0.77 KDM4E (0.63) KDM4ETDP1FFAR1MAPK1CCR1
SCHEMBL13133534 0.75 KDM4E (0.70) KDM4ETDP1MAPK1CCR1CCR5

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-0431421-A2 Heteroarylsubstituted pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP claimed
EP-0431421-A2 Heteroarylsubstituted pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP disclosed