SCHEMBL30061324

SCHEMBL30061324

O=[N+]([O-])c1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KCNJ1 P48048 1/20 0.44
FGFR1 P11362 4/20 0.43
FGFR2 P21802 4/20 0.43
FGFR3 P22607 4/20 0.43
KDR P35968 3/20 0.43
PDPK1 O15530 1/20 0.43
AURKA O14965 7/20 0.42
AURKB Q96GD4 7/20 0.42
CDK1 P06493 6/20 0.42
CCNB1 P14635 6/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CDK2 P24941 5/20 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
SCHEMBL545872 1.00 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTKCNJ1
SCHEMBL10240067 0.90 L3MBTL1 (0.44) MAPTFGFR1HDAC6CHEK1CDK7
SCHEMBL28507596 0.88 FGFR1 (0.51) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL30059177 0.88 FGFR1 (0.51) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL546253 0.84 FGFR1 (0.45) ALDH1A1MAPTFGFR1FGFR2FGFR3
SCHEMBL11888560 0.83 FGFR1 (0.43) FGFR1FGFR2FGFR3KDRPDPK1
SCHEMBL11037651 0.82 PARP1 (0.52) FGFR1FGFR2FGFR3KDRPDPK1
SCHEMBL12027286 0.81 FGFR1 (0.45) FGFR1FGFR2FGFR3KDRPDPK1
SCHEMBL12521833 0.81 PDPK1 (0.43) FGFR1FGFR2FGFR3KDRPDPK1
SCHEMBL27985423 0.80 MAPT (0.44) SMN1; SMN2ALDH1A1LMNAMAPTKCNJ1

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
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 CN disclosed