SCHEMBL7836074

SCHEMBL7836074

Cc1nc(Nc2ccc(Cl)cc2)nc(N2CCc3cc(F)ccc3C2C)c1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
BRD4 O60885 2/20 0.34
AURKA O14965 2/20 0.33
AGPAT2 O15120 1/20 0.33
APP P05067 3/20 0.33
KCNH3 Q9ULD8 1/20 0.33
DHFR P00374 1/20 0.33
TXN P10599 1/20 0.32
AURKB Q96GD4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
BRAF P15056 1/20 0.31
NTRK1 P04629 1/20 0.31
CNR1 P21554 1/20 0.31
MAPT P10636 1/20 0.31

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 SCHEMBL6159137 0.99 MEN1 (0.34) MEN1BLMKMT2AADRA2AADRA2B
SCHEMBL7823784 0.94 KMT2A (0.37) MEN1BLMKMT2AADRA2AADRA2B
SCHEMBL6158156 0.94 KMT2A (0.40) MEN1BLMKMT2AADRA2AADRA2B
Hydrochloric Acid SCHEMBL6157868 0.93 KMT2A (0.36) MEN1BLMKMT2AADRA2AADRA2B
Hydrochloric Acid SCHEMBL6157511 0.93 KMT2A (0.39) MEN1BLMKMT2AADRA2AADRA2B
SCHEMBL7835940 0.92 MEN1 (0.35) MEN1BLMKMT2AADRA2AADRA2B
Hydrochloric Acid SCHEMBL6159808 0.91 MEN1 (0.34) MEN1BLMKMT2AADRA2AADRA2B
SCHEMBL7838006 0.91 AURKA (0.36) MEN1KMT2AAURKAAPPMAPT
SCHEMBL6160285 0.90 AURKA (0.36) MEN1BLMKMT2AADRA2AADRA2B
SCHEMBL6158484 0.90 KDM4E (0.35) MEN1BLMKMT2AADRA2AADRA2B

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