SCHEMBL4317692

SCHEMBL4317692

Clc1cncc(NCCc2cccc(Br)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
GPR84 Q9NQS5 1/20 0.46
HRH1 P35367 5/20 0.43
DRD2 P14416 4/20 0.42
HTR2A P28223 4/20 0.42
CNR1 P21554 1/20 0.41
CDK2 P24941 1/20 0.40
BRAF P15056 1/20 0.40
CSF1R P07333 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CCR4 P51679 1/20 0.38
PTGDR Q13258 1/20 0.37

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
SCHEMBL4311625 0.84 FYN (0.47) HRH1DRD2HTR2ACDK2BRAF
SCHEMBL3361078 0.83 CDK2 (0.54) TAAR1HRH1DRD2HTR2ACDK2
SCHEMBL4317292 0.80 BRAF (0.47) TAAR1GPR84CNR1BRAF
SCHEMBL4314900 0.80 CSNK2A2 (0.48) CNR1BRAFCSF1RPTGDR
SCHEMBL4323633 0.78 CYP4F2 (0.53) HRH1BRAFCSF1R
SCHEMBL5206069 0.76 HRH1 (0.55) TAAR1HRH1DRD2HTR2ACNR1
SCHEMBL3361755 0.74 DRD2 (0.56) TAAR1GPR84HRH1DRD2HTR2A
SCHEMBL6659258 0.74 HRH1 (0.50) HRH1DRD2HTR2ACDK2CSF1R
SCHEMBL6472975 0.71 CYP1A2 (0.55) TAAR1GPR84
SCHEMBL6283187 0.71 MAP4K4 (0.48) CDK2HDAC3HDAC1HDAC2HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099774-A1 INHIBITORS OF KINASE ACTIVITY Cytopia Research Pty Ltd (AU) 2009-09-16 EP disclosed
WO-2008058341-A1 INHIBITORS OF KINASE ACTIVITY CYTOPIA RESEARCH PTY LTD (AU) 2008-05-22 WO disclosed