SCHEMBL17364385

SCHEMBL17364385

CCCN(C(=O)C(C)(C)C)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
CYP2C19 P33261 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.41
OPRM1 P35372 3/20 0.41
THRB P10828 2/20 0.41
TP53 P04637 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL17365660 0.84 POLB (0.63) POLBCYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL5511513 0.84 POLB (0.57) POLBMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL16244497 0.81 POLB (0.48) POLBCYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL230178 0.77 POLB (0.60) POLBCYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL19318513 0.76 POLB (0.59) POLBCYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL5509028 0.75 POLB (0.55) POLBMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL14200371 0.74 OPRM1 (0.48) POLBCYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL7794443 0.74 POLB (0.57) POLBCYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL5508940 0.74 POLB (0.60) POLBMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL14543473 0.72 OPRM1 (0.47) POLBMEN1KMT2ASMN1; SMN2TSHR

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
US-9221821-B2 Methods for the synthesis of 1,3-substituted aminouracils and other xanthine-related compounds Forest Laboratories Holdings, Limited (BM) 2015-12-29 US disclosed