SCHEMBL20004722

SCHEMBL20004722

C/N=C\c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OC2CCOCC2)c(C(C)=O)cc1C3=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.51
EGFR P00533 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
PDGFRB P09619 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
AXL P30530 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
MST1R Q04912 1/20 0.40
TYRO3 Q06418 1/20 0.40
KCNH2 Q12809 1/20 0.40
ERBB4 Q15303 1/20 0.40
CCDC6 Q16204 1/20 0.40
EML4 Q9HC35 1/20 0.40

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
SCHEMBL7813421 0.86 ALK (0.54) ALKEML4
SCHEMBL897413 0.84 ALK (0.71) ALKEGFRRETKDREML4
SCHEMBL20004556 0.83 ALK (0.66) ALKEGFRRETIGF1RPDGFRB
SCHEMBL20004392 0.83 ALK (0.53) ALKEGFRRETIGF1RPDGFRB
SCHEMBL20366581 0.82 ALK (0.54) ALKEGFRRETKDREML4
SCHEMBL20366534 0.82 ALK (0.53) ALKEGFRRETIGF1RPDGFRB
SCHEMBL21443156 0.80 ALK (0.61) ALKEGFRRETKDREML4
SCHEMBL25447217 0.80 ALK (0.66) ALKEGFRRETKDREML4
SCHEMBL20004124 0.76 ALK (0.56) ALKKDREML4
SCHEMBL24675693 0.76 ALK (0.57) ALKKDR

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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed