SCHEMBL20169510

SCHEMBL20169510

c1cc(-c2cnccn2)nc(-c2cnccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.56
CCR8 P51685 4/20 0.56
KDM4E B2RXH2 3/20 0.56
CCR5 P51681 3/20 0.56
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HSP90AA1 P07900 2/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.56
ALPL P05186 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
METAP2 P50579 2/20 0.46
CYP2A6 P11509 2/20 0.42
METAP1 P53582 2/20 0.40
PIM1 P11309 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
SCHEMBL29661993 1.00 CCR1 (0.56) CCR1CCR8KDM4ECCR5LMNA
SCHEMBL28768624 0.98 CCR1 (0.54) CCR1CCR8KDM4ECCR5LMNA
SCHEMBL4896658 0.86 METAP2 (0.44) CCR1CCR8KDM4ECCR5LMNA
SCHEMBL13403463 0.86 ASIC3 (0.47) CCR1CCR8KDM4ECCR5LMNA
SCHEMBL30528336 0.86 CCR1 (0.61) CCR1CCR8KDM4ECCR5LMNA
SCHEMBL19944117 0.83 KDM4E (0.59) CCR1CCR8KDM4ECCR5LMNA
SCHEMBL27946179 0.83 KDM4E (0.59) CCR1CCR8KDM4ECCR5LMNA
SCHEMBL29454745 0.82 NISCH (0.50) KDM4EHSP90AA1HTTMETAP2PIM1
SCHEMBL78566 0.82 NISCH (0.50) KDM4EHSP90AA1HTTMETAP2PIM1
SCHEMBL29598957 0.82 NISCH (0.50) KDM4EHSP90AA1HTTMETAP2PIM1

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
US-9978945-B2 Organic light emitting display device LG DISPLAY CO., LTD. (KR) 2018-05-22 US disclosed