SCHEMBL17023065

SCHEMBL17023065

CN1CCN(Cc2c[nH]c(NC(=O)Oc3ccc(-c4cccc5ccccc45)c4nccnc34)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 8/20 0.48
TNIK Q9UKE5 1/20 0.43
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TNF P01375 1/20 0.35
FAAH O00519 1/20 0.35
DRD2 P14416 1/20 0.35
CNR1 P21554 1/20 0.35
DRD3 P35462 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL17023025 0.91 FGFR3 (0.59) FGFR3TNIKLMNAKDM4EHTT
SCHEMBL12678275 0.88 FGFR3 (0.63) FGFR3TNIKCYP2C19
SCHEMBL17023144 0.87 FGFR3 (0.58) FGFR3LMNAKDM4EFAAHHTT
SCHEMBL17023046 0.87 FGFR3 (0.42) FGFR3
SCHEMBL17023121 0.84 FGFR3 (0.40) FGFR3LMNAKDM4EHTT
SCHEMBL17023017 0.82 FGFR3 (0.65) FGFR3TNIKCYP2C19
SCHEMBL17023076 0.81 FGFR3 (0.56) FGFR3
SCHEMBL17023024 0.81 FGFR3 (0.59) FGFR3
SCHEMBL12678288 0.79 FGFR3 (0.76) FGFR3TNIK
SCHEMBL17023072 0.78 GAA (0.53) TSHRKDM4E

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
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed