SCHEMBL9838375

SCHEMBL9838375

CC(=O)Nc1nc2ncc(C=O)cc2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
GDA Q9Y2T3 1/20 0.50
FGFR1 P11362 6/20 0.43
FGFR2 P21802 6/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FGFR3 P22607 3/20 0.41
ADORA3 P0DMS8 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
XDH P47989 1/20 0.34

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
SCHEMBL9838320 0.83 KDM4E (0.58) KDM4EGAAGDAFGFR1FGFR2
SCHEMBL15530247 0.75 KDM4E (0.59) KDM4EGAAGDAFGFR1FGFR2
SCHEMBL29775257 0.75 KDM4E (0.59) KDM4EGAAGDAFGFR1FGFR2
SCHEMBL9838795 0.74 CYP1A2 (0.49) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL10514549 0.72 GART (0.57) KDM4EGAAALDH1A1HPGDPOLB
SCHEMBL4062168 0.69 ALDH1A1 (0.60) KDM4EGAAGDAFGFR1ALDH1A1
SCHEMBL9581457 0.68 GDA (0.89) KDM4EGAAGDAFGFR1FGFR2
SCHEMBL29123832 0.68 KDM4E (0.68) KDM4EGAAGDAFGFR1FGFR2
SCHEMBL15451033 0.67 KDM4E (0.51) KDM4EGAAGDAFGFR1FGFR2
SCHEMBL219478 0.67 GDA (1.00) KDM4EGAAGDAFGFR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305667-A2 Improved process for producing 5,10-dideaza-(5,6,7,8)-tetrahydrofolic acid AMERICAN CYANAMID COMPANY (US) 1989-03-08 EP claimed
EP-0255228-B1 4(3H)-OXO-5,6,7,8,-TETRAHYDROPYRIDO-(2,3-D)PYRIMIDINE DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-05-02 EP disclosed
US-4833145-A 4(3H)-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-23 US disclosed
EP-0305667-A2 Improved process for producing 5,10-dideaza-(5,6,7,8)-tetrahydrofolic acid AMERICAN CYANAMID COMPANY (US) 1989-03-08 EP disclosed
EP-0255228-A1 4(3H)-Oxo-5,6,7,8,-Tetrahydropyrido-(2,3-d)Pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1988-02-03 EP disclosed