SCHEMBL7832119

SCHEMBL7832119

Cc1c(CF)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH3 Q9ULD8 10/20 0.35
DHFR P00374 2/20 0.33
MAPT P10636 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KCNH2 Q12809 2/20 0.33
TRPC3 Q13507 1/20 0.32
TRPC6 Q9Y210 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
Hydrochloric Acid SCHEMBL6159015 0.99 KDM4E (0.38) MEN1BLMKMT2AKDM4ELMNA
SCHEMBL7000651 0.92 MEN1 (0.37) MEN1BLMKMT2AKDM4ELMNA
SCHEMBL4591366 0.91 KCNH3 (0.37) MEN1BLMKMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL6991716 0.91 KDM4E (0.38) MEN1BLMKMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL6968110 0.91 KCNH3 (0.39) MEN1BLMKMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL6965281 0.89 KCNH3 (0.40) MEN1BLMKMT2AKDM4ELMNA
Revaprazan SCHEMBL2194461 0.88 MEN1 (0.40) MEN1BLMKMT2AKDM4ELMNA
Revaprazan SCHEMBL6990999 0.88 MEN1 (0.40) MEN1BLMKMT2AKDM4ELMNA
Revaprazan SCHEMBL6993033 0.88 MEN1 (0.40) MEN1BLMKMT2AKDM4ELMNA
Revaprazan SCHEMBL29388090 0.88 MEN1 (0.40) MEN1BLMKMT2AKDM4ELMNA

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-1131312-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2001-09-12 EP disclosed
WO-2000029403-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2000-05-25 WO disclosed