SCHEMBL8534619

SCHEMBL8534619

CC(C)c1nccn1-c1nc(N(C)C)nc(-n2ccnc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 12/20 0.47
MAPK1 P28482 7/20 0.47
CYP1A2 P05177 5/20 0.47
CYP2D6 P10635 5/20 0.47
CYP2C19 P33261 5/20 0.47
CYP2C9 P11712 4/20 0.47
CYP3A4 P08684 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 3/20 0.40
USP2 O75604 2/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 3/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 4/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 3/20 0.37
MAPT P10636 3/20 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
SCHEMBL8585527 0.82 NPSR1 (0.38) TSHRMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8538378 0.82 TSHR (0.64) TSHRMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8537396 0.76 TSHR (0.49) TSHRMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL17486078 0.73 TSHR (0.54) TSHRMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8535071 0.72 TSHR (0.52) TSHRMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8534493 0.71 TSHR (0.70) TSHRMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8538443 0.70 TSHR (0.51) TSHRMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8537081 0.70 TSHR (0.69) TSHRMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8535647 0.69 TSHR (0.57) TSHRMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8538515 0.68 TSHR (0.56) TSHRMAPK1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629622-B1 S-TRIAZINE DERIVATIVE AND REMEDY FOR ESTROGEN-DEPENDENT DISEASES CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 1998-11-11 EP disclosed
US-5489591-A INHIBITORS OF AROMATASE; TREATING ENDOMETRIOSIS, BREAST CANCER CYSTIC OVARIES ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1996-02-06 US disclosed
EP-0629622-A1 s-TRIAZINE DERIVATIVE AND REMEDY FOR ESTROGEN-DEPENDENT DISEASES CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1994-12-21 EP disclosed