SCHEMBL16769694

SCHEMBL16769694

Clc1ncnc2c1c(Br)cn2[C@H]1C[C@@H](N2CCOCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADK P55263 6/20 0.47
RET P07949 8/20 0.38
KIF5B P33176 7/20 0.38
KDR P35968 5/20 0.38
METTL3 Q86U44 4/20 0.38
KCNH2 Q12809 1/20 0.36
CCDC6 Q16204 1/20 0.36
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
LYN P07948 1/20 0.34
KIT P10721 1/20 0.34
BCR P11274 1/20 0.34
SRC P12931 1/20 0.34
BLK P51451 1/20 0.34
NTRK2 Q16620 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34

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
SCHEMBL18925738 1.00 ADK (0.47) ADKRETKIF5BKDRMETTL3
SCHEMBL18925745 0.85 METTL3 (0.50) ADKRETKIF5BKDRMETTL3
SCHEMBL16769693 0.85 METTL3 (0.50) ADKRETKIF5BKDRMETTL3
SCHEMBL29780875 0.83 ADK (0.52) ADKRETKDRMETTL3ABL1
SCHEMBL16769982 0.83 ADK (0.52) ADKRETKDRMETTL3ABL1
SCHEMBL1444354 0.81 RET (0.58) ADKRETKIF5BKDRKCNH2
SCHEMBL1441871 0.81 RET (0.58) ADKRETKIF5BKDRKCNH2
SCHEMBL1441873 0.81 RET (0.58) ADKRETKIF5BKDRKCNH2
SCHEMBL868173 0.80 ADK (0.54) ADKRETMETTL3LCKSRC
SCHEMBL1443270 0.80 ADK (0.43) ADKRETKIF5BKDRMETTL3

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
WO-2015077866-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-06-04 WO disclosed