SCHEMBL27880596

SCHEMBL27880596

CN1CCN(C2CC(n3cc(Br)c4c(N)ncnc43)C2)CC1C=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.44
KIF5B P33176 6/20 0.44
KDR P35968 4/20 0.44
METTL3 Q86U44 10/20 0.41
ADK P55263 4/20 0.41
KCNH2 Q12809 1/20 0.41
CCDC6 Q16204 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
KIT P10721 1/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
BLK P51451 1/20 0.41
NTRK2 Q16620 1/20 0.41

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
SCHEMBL28799602 0.88 ADK (0.41) RETKIF5BKDRMETTL3ADK
SCHEMBL1442891 0.78 RET (0.46) RETKIF5BKDRMETTL3ADK
SCHEMBL1444002 0.77 RET (0.69) RETKIF5BKDRMETTL3ADK
SCHEMBL1444001 0.77 RET (0.69) RETKIF5BKDRMETTL3ADK
SCHEMBL27864236 0.76 RET (0.52) RETKIF5BKDRMETTL3ADK
SCHEMBL18925745 0.75 METTL3 (0.50) RETKIF5BKDRMETTL3ADK
SCHEMBL16769693 0.75 METTL3 (0.50) RETKIF5BKDRMETTL3ADK
SCHEMBL869590 0.74 ADK (0.53) RETKDRMETTL3ADKABL1
SCHEMBL23854926 0.73 SRC (0.59) RETKDRADKABL1NTRK1
SCHEMBL23854924 0.73 SRC (0.59) RETKDRADKABL1NTRK1

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
CN-102596963-A Ether derivatives of bicyclic heteroaryls NOVARTIS AG 2012-07-18 CN disclosed