SCHEMBL24929928

SCHEMBL24929928

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)c6c5sc5ccccc56)cc34)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.37
ALOX5 P09917 1/20 0.34
LIMK1 P53667 2/20 0.33
CYP1A2 P05177 1/20 0.32
MMP12 P39900 1/20 0.31
ESR2 Q92731 1/20 0.30
PIM3 Q86V86 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
CHEK2 O96017 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL24928172 0.95 ALOX5 (0.34) PRKDCALOX5LIMK1CYP1A2CHEK2
SCHEMBL26215634 0.95 PRKDC (0.37) PRKDCALOX5LIMK1MMP12ESR2
SCHEMBL26762691 0.95 PRKDC (0.37) PRKDCALOX5LIMK1MMP12ESR2
SCHEMBL25458674 0.94 PRKDC (0.36) PRKDCALOX5LIMK1MMP12ESR2
SCHEMBL25458681 0.94 PRKDC (0.36) PRKDCALOX5LIMK1MMP12ESR2
SCHEMBL26763576 0.94 PRKDC (0.36) PRKDCALOX5LIMK1MMP12ESR2
SCHEMBL26763570 0.92 PRKDC (0.37) PRKDCALOX5LIMK1MMP12ESR2
SCHEMBL26222473 0.91 PRKDC (0.36) PRKDCALOX5LIMK1MMP12PIM3
SCHEMBL24929930 0.91 PRKDC (0.42) PRKDCALOX5LIMK1MMP12
SCHEMBL26763256 0.91 PRKDC (0.36) PRKDCALOX5LIMK1MMP12PIM3

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-2023008795-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER 엘티소재주식회사 2023-02-02 WO disclosed