SCHEMBL6990874

SCHEMBL6990874

CCc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM3 P20309 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
CHRM1 P11229 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40

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 SCHEMBL6993414 0.99 KDM4E (0.42) MEN1BLMKMT2ACHRM3PDE4A
Hydrochloric Acid SCHEMBL6966987 0.88 KCNH3 (0.42) MEN1BLMKMT2ACHRM3PDE4A
SCHEMBL6997622 0.87 MEN1 (0.45) MEN1BLMKMT2ACHRM3PDE4A
SCHEMBL6996668 0.86 AXL (0.40) KMT2ACHRM3PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL6997347 0.86 KDM4E (0.45) MEN1BLMKMT2ACHRM3PDE4A
Hydrochloric Acid SCHEMBL6992368 0.85 AXL (0.39) KMT2ACHRM3PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7000650 0.82 PDE4A (0.42) MEN1KMT2ACHRM3PDE4APDE4B
SCHEMBL7000651 0.80 MEN1 (0.37) MEN1BLMKMT2AKDM4EMAPK1
Hydrochloric Acid SCHEMBL6991716 0.79 KDM4E (0.38) MEN1BLMKMT2AKDM4EMAPK1
Hydrochloric Acid SCHEMBL8801771 0.79 KDM4E (0.37) MEN1BLMKMT2AKDM4EMAPK1

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-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP claimed
CN-1102144-C Noval pyrimidine derivatives and prepn. processes thereof YUHAN CORP (KR) 2003-02-26 CN disclosed