SCHEMBL20037518

SCHEMBL20037518

CC(=O)N1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.56
AOC3 Q16853 2/20 0.48
MAP4K4 O95819 1/20 0.46
DPP4 P27487 1/20 0.45
CASP6 P55212 1/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
GBA1 P04062 1/20 0.43
OGA O60502 1/20 0.43
SMO Q99835 1/20 0.43

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
SCHEMBL3827722 0.85 KDM4E (0.43) BPTFALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL20255261 0.83 L3MBTL1 (0.49) BPTFALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL20037519 0.83 MAP4K4 (0.49) BPTFMAP4K4ALDH1A1OGASMO
SCHEMBL20255223 0.82 BPTF (0.60) BPTFAOC3MAP4K4DPP4CASP6
SCHEMBL2068254 0.81 PANK3 (0.59) BPTFALDH1A1MEN1KMT2A
SCHEMBL16427561 0.80 GPR119 (0.57) MAP4K4ALDH1A1CKS1BSKP1SKP2
SCHEMBL20037669 0.80 PANK3 (0.48) ALDH1A1HSD17B10GAAL3MBTL1KDM4E
SCHEMBL20037531 0.80 PANK3 (0.46) OGA
SCHEMBL24620129 0.79 BPTF (0.54) BPTFAOC3MAP4K4DPP4CASP6
SCHEMBL20249445 0.78 BPTF (0.56) BPTFAOC3MAP4K4DPP4CASP6

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed