SCHEMBL9506365

SCHEMBL9506365

COc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
SQOR Q9Y6N5 1/20 0.46
ADORA1 P30542 2/20 0.43
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
JAK2 O60674 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 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
SCHEMBL27974045 0.87 CYP11B1 (0.43) KDM4ECYP11B1CYP11B2MEN1KMT2A
SCHEMBL9506392 0.86 CYP11B1 (0.49) KDM4ECYP11B1CYP11B2ALDH1A1HPGD
SCHEMBL9507851 0.85 KDM4E (0.45) KDM4ECYP11B1CYP11B2MEN1KMT2A
SCHEMBL9405472 0.85 SQOR (0.51) KDM4ECYP11B1CYP11B2MEN1KMT2A
SCHEMBL9506551 0.84 KDM4E (0.50) KDM4ECYP11B1CYP11B2MEN1KMT2A
SCHEMBL9506490 0.84 CYP11B1 (0.45) KDM4ECYP11B1CYP11B2MEN1KMT2A
SCHEMBL9506414 0.82 KDM4E (0.50) KDM4ECYP11B1CYP11B2MEN1KMT2A
SCHEMBL9507799 0.81 KDM4E (0.52) KDM4EMEN1KMT2ACYP3A4CYP2D6
SCHEMBL9507867 0.81 KDM4E (0.52) KDM4EMEN1KMT2ACYP3A4CYP2D6
SCHEMBL9506375 0.81 KDM4E (0.52) KDM4EMEN1KMT2ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317175-B1 PYRIMIDINE DERIVATIVES SEIKO EPSON CORPORATION (JP) 1993-09-22 EP claimed
EP-0317175-A2 Pyrimidine derivatives SEIKO EPSON CORPORATION (JP) 1989-05-24 EP claimed
EP-0317175-B1 PYRIMIDINE DERIVATIVES SEIKO EPSON CORPORATION (JP) 1993-09-22 EP disclosed
EP-0317175-A2 Pyrimidine derivatives SEIKO EPSON CORPORATION (JP) 1989-05-24 EP disclosed