SCHEMBL21214764

SCHEMBL21214764

Cc1cnc(Cl)nc1NCc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
GPR39 O43194 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC2A1 P11166 1/20 0.42
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
P2RX7 Q99572 1/20 0.41
PDE2A O00408 1/20 0.41
CD38 P28907 1/20 0.41
HTT P42858 1/20 0.40
CCR4 P51679 1/20 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
SCHEMBL22866338 0.80 PDE2A (0.52) PDE2AALDH1A1STK17A
SCHEMBL22866364 0.78 PDE2A (0.56) HDAC1HDAC6KMT2AHDAC3HDAC2
SCHEMBL5912903 0.75 GCGR (0.43) MEN1KMT2ASLC2A1P2RX7
SCHEMBL12515566 0.75 MEN1 (0.47) HPGDMEN1KMT2APDE2AALDH1A1
SCHEMBL13777948 0.75 ESR1 (0.61) HPGDNPSR1HDAC1HDAC6HDAC8
SCHEMBL13780250 0.75 HDAC1 (0.41) HPGDNPSR1HDAC1HDAC6HDAC8
SCHEMBL22261338 0.74 JAK3 (0.63) HPGDHDAC1HDAC6HDAC3HDAC2
SCHEMBL7260597 0.74 PDE5A (0.55) MEN1KMT2AALDH1A1
SCHEMBL18488333 0.73 GPR84 (0.46) HPGDKMT2AP2RX7ALDH1A1STK17A
SCHEMBL3844908 0.73 PRKCQ (0.42) HPGDMEN1KMT2AHDAC3PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019147862-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2019-08-01 WO disclosed