SCHEMBL6989353

SCHEMBL6989353

CCCc1cc(N2CCc3ccccc3C2C)nc(Nc2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH3 Q9ULD8 7/20 0.35
MERTK Q12866 1/20 0.35
MAPK1 P28482 2/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
DHFR P00374 4/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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 SCHEMBL6994782 0.99 KCNH3 (0.37) BLMMEN1KMT2AKCNH3MERTK
SCHEMBL6998561 0.92 BLM (0.38) BLMMEN1KMT2AKCNH3MERTK
Hydrochloric Acid SCHEMBL6990611 0.91 KCNH3 (0.38) BLMMEN1KMT2AKCNH3MAPK1
SCHEMBL7000418 0.87 GALR2 (0.35) MEN1KMT2AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6993369 0.87 GALR2 (0.35) MEN1KMT2AMAPK1ALDH1A1
SCHEMBL6963727 0.85 MAPT (0.40) BLMMEN1KMT2AKCNH3MAPK1
Hydrochloric Acid SCHEMBL6992610 0.84 MAPT (0.39) BLMMEN1KMT2AKCNH3MAPK1
Hydrochloric Acid SCHEMBL7001990 0.83 KMT2A (0.40) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL6995386 0.80 GALR2 (0.36)
Hydrochloric Acid SCHEMBL6993026 0.79 GALR2 (0.35)

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-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP claimed
EP-0775120-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 1997-05-28 EP claimed
WO-1996005177-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1996-02-22 WO claimed