SCHEMBL21443214

SCHEMBL21443214

C=NCc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(N2CCOCC2)ccc1C3=O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.69
KIT P10721 2/20 0.59
KDR P35968 2/20 0.59

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
SCHEMBL20366467 0.92 ALK (0.66) ALKKITKDR
SCHEMBL7807828 0.84 ALK (0.75) ALKKITKDR
SCHEMBL20366546 0.81 ALK (0.53) ALKKITKDR
SCHEMBL896878 0.81 ALK (1.00) ALKKITKDR
SCHEMBL25447380 0.79 ALK (0.65) ALKKITKDR
SCHEMBL20004176 0.79 ALK (0.73) ALKKITKDR
SCHEMBL7805461 0.76 ALK (0.78) ALKKITKDR
SCHEMBL24675688 0.76 ALK (0.64) ALKKITKDR
SCHEMBL1755799 0.75 ALK (0.73) ALKKITKDR
SCHEMBL21443176 0.75 ALK (0.53) ALKKITKDR

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-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed