SCHEMBL10102116

SCHEMBL10102116

CNc1nc(CN)cc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
PIK3CB P42338 4/20 0.45
HTT P42858 2/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MTOR P42345 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14818929 0.79 KMT2A (0.64) CRHBPCRHR2PIK3CBHTTPKM
SCHEMBL14804579 0.78 CYP1A2 (0.60) CRHBPCRHR2PIK3CBHTTPKM
SCHEMBL14804472 0.75 IGF1R (0.45) CRHBPCRHR2PIK3CBHTTPKM
SCHEMBL5453917 0.73 PIK3CB (0.58) CRHBPCRHR2PIK3CBHTTPKM
SCHEMBL5218939 0.71 PIK3CB (0.53) PIK3CBTSHRKMT2AMAPK1SMN1; SMN2
SCHEMBL27700148 0.70 L3MBTL1 (0.46) CRHBPCRHR2PIK3CBHTTPKM
SCHEMBL14114436 0.70 CASP1 (0.44) KMT2AHSD17B10CYP1A2ALDH1A1CYP3A4
SCHEMBL3946417 0.69 TYK2 (0.40) CRHBPCRHR2PIK3CBHTTPKM
SCHEMBL961117 0.69 CRHBP (0.65) CRHBPCRHR2PIK3CBHTTPKM
SCHEMBL18019805 0.69 NUDT1 (0.74) CRHBPCRHR2PIK3CBKMT2ACYP1A2

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
US-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed