SCHEMBL4332007

SCHEMBL4332007

CN1CCN(c2ccc(-c3cnc4c(C(=O)O)ccc(-c5csc6ccccc56)c4n3)c(C(N)=O)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 2/20 0.43
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR7 P34969 1/20 0.36
BCL2L1 Q07817 1/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
PKM P14618 1/20 0.33
CDC7 O00311 1/20 0.33
PARP1 P09874 2/20 0.33
ATR Q13535 1/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4321849 0.84 PARP1 (0.34) ALDH1A1KDM4EKMT2APARP1ATR
SCHEMBL4332010 0.79 FGFR3 (0.53) FGFR3ACVRL1ACVR1ALDH1A1HSD17B10
SCHEMBL12678295 0.70 FGFR3 (0.63) FGFR3ALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL1126390 0.68 FGFR3 (0.49) FGFR3ALDH1A1HSD17B10KDM4ECDC7
SCHEMBL17023016 0.65 FGFR3 (0.49) FGFR3ACVRL1ACVR1ALDH1A1HSD17B10
SCHEMBL3318017 0.64 FGFR3 (0.43) FGFR3ALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL3321225 0.63 JAK2 (0.45)
SCHEMBL3318023 0.62 FGFR3 (0.44) FGFR3ALDH1A1HSD17B10KDM4ECDC7
Fumaric Acid SCHEMBL3380801 0.62 DRD2 (0.48) ACVRL1ACVR1ALDH1A1HSD17B10KDM4E
Fumaric Acid SCHEMBL3380807 0.62 DRD2 (0.48) ACVRL1ACVR1ALDH1A1HSD17B10KDM4E

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
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO claimed