SCHEMBL9489482

SCHEMBL9489482

Oc1cc(-c2ccccc2F)nc(-c2ccccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK14 Q16539 1/20 0.49
TGFBR1 P36897 1/20 0.47
NPC1 O15118 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
ADORA2A P29274 4/20 0.45
ADORA3 P0DMS8 3/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.44
GRM5 P41594 3/20 0.43
FFAR1 O14842 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ADORA1 P30542 3/20 0.42
TP53 P04637 1/20 0.42
PPP1CA P62136 1/20 0.41

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
SCHEMBL4340551 0.82 KDM4E (0.63) KDM4ETDP1NPC1L3MBTL1ADORA3
SCHEMBL1443106 0.82 KDM4E (0.68) KDM4ETDP1NPC1L3MBTL1ALDH1A1
SCHEMBL9488463 0.79 KDM4E (0.50) KDM4ETDP1MAPK14TGFBR1NPC1
SCHEMBL1780998 0.78 KDM4E (0.56) KDM4ETDP1TGFBR1NPC1L3MBTL1
SCHEMBL5026240 0.74 KDM4E (0.58) KDM4ETDP1MAPK14NPC1L3MBTL1
SCHEMBL19690959 0.74 KDM4E (0.58) KDM4ETDP1L3MBTL1ALOX15GRM5
SCHEMBL10157013 0.74 KDM4E (0.57) KDM4ETDP1NPC1L3MBTL1RAB9A
SCHEMBL20665292 0.74 KRAS (0.42) KDM4ETDP1MAPK14TGFBR1NPC1
SCHEMBL5479409 0.74 CYP1A2 (0.64) KDM4ETDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4339744 0.73 CCR1 (0.56) KDM4ETDP1NPC1L3MBTL1ADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250533-A Fungicidal pyridinylpyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1993-10-05 US claimed