SCHEMBL3404173

SCHEMBL3404173

CC(CI)(NC(=O)c1cnc(-n2cccn2)nc1O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.43
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MERTK Q12866 1/20 0.33
KAT6A Q92794 1/20 0.33
PTGER4 P35408 1/20 0.33
BCL6 P41182 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HCRTR1 O43613 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL3409150 0.87 EGLN1 (0.56) EGLN1PTGER4
SCHEMBL4530398 0.80 EGLN1 (0.50) EGLN1KAT6APTGER4
SCHEMBL3410878 0.79 EGLN1 (0.63) EGLN1LMNA
SCHEMBL3409230 0.79 EGLN1 (0.55) EGLN1PTGER4KDM4E
SCHEMBL3435037 0.78 EGLN1 (0.45) EGLN1BCL6NCOR2KDM4ECYP1A2
SCHEMBL3408985 0.77 MEN1 (0.45) EGLN1KAT6AKDM4ECYP1A2CYP2D6
SCHEMBL3411160 0.77 EGLN1 (0.49) EGLN1HCRTR1
SCHEMBL3408688 0.77 EGLN1 (0.48) EGLN1
SCHEMBL3409508 0.75 EGLN1 (0.64) EGLN1PTGER4
SCHEMBL3408585 0.75 EGLN1 (0.64) EGLN1PTGER4

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
EP-2257539-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2010-12-08 EP claimed
WO-2009117269-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK & CO., INC. (US) 2009-09-24 WO claimed