SCHEMBL21159908

SCHEMBL21159908

c1ccc(C2=NC(c3c(-c4ccc(-c5ccncc5)cc4)ccc4ccccc34)NC(c3ccccc3)N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ IMPDH2 P12268 2/20 0.34
▸ MAPK14 Q16539 3/20 0.33
▸ CSNK1D P48730 2/20 0.33
▸ CSNK1E P49674 2/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ TNF P01375 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ MAPK8 P45983 2/20 0.31
▸ MAPK9 P45984 2/20 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
SCHEMBL18819153 0.87 NPC1 (0.40) P2RX7
SCHEMBL18819238 0.86 P2RX7 (0.33) MAPTMAPK1TDP1LMNAKDM4E
SCHEMBL18818853 0.84 — —
SCHEMBL18819547 0.84 KDM4E (0.34) MAPTMAPK1KDM4EP2RX7
SCHEMBL18819308 0.83 CYP19A1 (0.37) MAPTMAPK1LMNAKDM4EALDH1A1
SCHEMBL18818752 0.83 PIM3 (0.34) —
SCHEMBL18819541 0.83 P2RX7 (0.30) MAPTMAPK1TDP1LMNAP2RX7
SCHEMBL22056951 0.83 P2RX7 (0.30) P2RX7
SCHEMBL18819549 0.83 P2RX7 (0.30) P2RX7
SCHEMBL22056872 0.83 P2RX7 (0.30) P2RX7

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
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 — — EP disclosed
Send feedback