SCHEMBL17448474

SCHEMBL17448474

C[SiH](OC[C@H]1OC(C)(C)O[C@@H]1COc1ccc2c(c1)C(C)(C)c1oc3cc(C#N)ccc3c1C2=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.47
NTRK1 P04629 10/20 0.47
KDR P35968 6/20 0.47
SRC P12931 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
LCK P06239 8/20 0.47

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
SCHEMBL20366650 0.89 ALK (0.57) ALKNTRK1KDRSRCNTRK3
SCHEMBL20004305 0.89 ALK (0.57) ALKNTRK1KDRSRCNTRK3
SCHEMBL897766 0.88 NTRK1 (0.48) ALKNTRK1KDRSRCNTRK3
SCHEMBL897767 0.84 NTRK1 (0.45) ALKNTRK1KDRSRCNTRK3
SCHEMBL898127 0.77 ALK (0.58) ALK
SCHEMBL17448462 0.76 ALK (0.79) ALK
SCHEMBL20004790 0.76 ALK (0.55) ALK
SCHEMBL20004307 0.76 ALK (0.58) ALK
SCHEMBL898634 0.76 ALK (0.78) ALK
SCHEMBL17448478 0.75 ALK (0.70) ALK

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-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-20 EP disclosed