SCHEMBL20004830

SCHEMBL20004830

C=C1c2cnc(N3CCN(C4CCC4)CC3)cc2C(C)(C)c2[nH]c3cc(C#N)ccc3c21

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.72
KDR P35968 5/20 0.61
KIT P10721 2/20 0.53

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
SCHEMBL898372 0.91 ALK (0.86) ALKKDRKIT
SCHEMBL29962650 0.91 ALK (0.86) ALKKDRKIT
SCHEMBL30389803 0.84 ALK (1.00) ALKKDRKIT
SCHEMBL898337 0.84 ALK (1.00) ALKKDRKIT
SCHEMBL22369325 0.82 ALK (0.72) ALKKDRKIT
SCHEMBL22369405 0.81 ALK (0.84) ALKKDR
SCHEMBL898396 0.81 ALK (0.85) ALKKDRKIT
SCHEMBL22369381 0.79 ALK (0.75) ALKKDRKIT
SCHEMBL897359 0.78 ALK (0.83) ALKKDRKIT
SCHEMBL897775 0.78 ALK (0.80) 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