SCHEMBL9488463

SCHEMBL9488463

Oc1cc(-c2ccc(F)cc2)nc(-c2ccccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPK14 Q16539 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TGFBR1 P36897 3/20 0.47
GRM5 P41594 4/20 0.47
FFAR1 O14842 1/20 0.46
TOP1 P11387 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.45
F2 P00734 1/20 0.44
F12 P00748 1/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SQOR Q9Y6N5 1/20 0.43
GRM1 Q13255 1/20 0.43

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
SCHEMBL30081026 0.85 MEN1 (0.55) KDM4ETDP1TGFBR1GRM5NPC1
SCHEMBL4340551 0.82 KDM4E (0.63) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL9487664 0.82 KDM4E (0.50) KDM4EMAPK14TDP1TGFBR1GRM5
SCHEMBL1443106 0.82 KDM4E (0.68) KDM4ETDP1GRM5NPC1RAB9A
SCHEMBL30081031 0.81 TRPV1 (0.54) KDM4ETDP1NPC1RAB9AMEN1
SCHEMBL9489482 0.79 KDM4E (0.50) KDM4EMAPK14TDP1TGFBR1GRM5
SCHEMBL9487590 0.78 GAA (0.61) KDM4EMAPK14TDP1GRM5FFAR1
SCHEMBL29638126 0.78 TGFBR1 (0.57) KDM4EMAPK14TDP1TGFBR1GRM5
SCHEMBL1358217 0.78 TGFBR1 (0.57) KDM4EMAPK14TDP1TGFBR1GRM5
SCHEMBL4773465 0.78 CYP2A6 (0.63) KDM4ETDP1GRM5NPC1RAB9A

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
US-5250533-A Fungicidal pyridinylpyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1993-10-05 US disclosed
EP-0431424-A2 Pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP disclosed