SCHEMBL27688657

SCHEMBL27688657

Cc1cncn1CCNc1ncc(Br)c(-c2cnc(C(O)c3ccccc3)s2)n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 17/20 0.35
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
TSHR P16473 1/20 0.30

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
SCHEMBL27688635 0.73 QPCT (0.33) QPCT
SCHEMBL2981910 0.62 HDAC6 (0.34)
SCHEMBL27708242 0.61 CDK2 (0.36) QPCT
SCHEMBL9130426 0.59 IDO1 (0.47) IDO1TDO2TSHR
SCHEMBL5147380 0.58 ALDH1A1 (0.40) TSHR
SCHEMBL5149136 0.58 MERTK (0.35)
SCHEMBL2982192 0.56
SCHEMBL1568055 0.56 SMN1; SMN2 (0.52) QPCT
SCHEMBL6989844 0.55 TSHR (0.48) QPCTIDO1TSHR
SCHEMBL14416019 0.54 QPCT (0.51) QPCT

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
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN disclosed
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN disclosed