SCHEMBL20004709

SCHEMBL20004709

Cc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(N2CCNCC2)c(C2CCC2)cc1C3=O

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.66
KDR P35968 4/20 0.53
KIT P10721 2/20 0.51
EML4 Q9HC35 2/20 0.50
SRPK2 P78362 1/20 0.49
SRPK1 Q96SB4 1/20 0.49

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
SCHEMBL897357 0.87 ALK (0.80) ALKKDRKITEML4SRPK2
SCHEMBL1755877 0.86 ALK (0.62) ALKKDRKITEML4SRPK2
SCHEMBL896899 0.80 ALK (1.00) ALKKDRKIT
Hydrochloric Acid SCHEMBL14990947 0.79 ALK (0.98) ALKKDRKIT
Hydrochloric Acid SCHEMBL30730875 0.79 ALK (0.98) ALKKDRKIT
SCHEMBL897176 0.78 ALK (0.78) ALKKDRKITEML4SRPK2
SCHEMBL7815503 0.78 ALK (0.78) ALKKDRKIT
SCHEMBL10283152 0.77 ALK (0.83) ALKKDRKIT
SCHEMBL1703861 0.76 ALK (0.77) ALKKDRKITEML4SRPK2
SCHEMBL897857 0.75 ALK (0.85) ALKKDRKIT

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