SCHEMBL30679231

SCHEMBL30679231

Clc1nccc2nc(-c3ccccc3)cnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YES1 P07947 4/20 0.50
ABL1 P00519 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDR P35968 3/20 0.46
NTRK1 P04629 2/20 0.46
MAPK1 P28482 2/20 0.46
PIM1 P11309 1/20 0.46
HIPK1 Q86Z02 1/20 0.46
PDGFRB P09619 1/20 0.46
FLT3 P36888 1/20 0.46
TOP1 P11387 1/20 0.45
WNT3A P56704 1/20 0.44
TLR9 Q9NR96 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL30679225 1.00 YES1 (0.50) YES1ABL1SMN1; SMN2NPC1RAB9A
SCHEMBL15539550 1.00 YES1 (0.50) YES1ABL1SMN1; SMN2NPC1RAB9A
SCHEMBL30679226 0.87 SMN1; SMN2 (0.47) YES1ABL1SMN1; SMN2NPC1RAB9A
SCHEMBL29135216 0.87 SMN1; SMN2 (0.47) YES1ABL1SMN1; SMN2NPC1RAB9A
SCHEMBL30679228 0.80 TOP1 (0.50) SMN1; SMN2NPC1RAB9ATOP1PARP1
SCHEMBL29135218 0.80 TOP1 (0.50) SMN1; SMN2NPC1RAB9ATOP1PARP1
SCHEMBL3134923 0.76 YES1 (0.60) YES1ABL1SMN1; SMN2NPC1RAB9A
SCHEMBL15900397 0.74 ALDH1A1 (0.39) MAPK1ALDH1A1MAPT
SCHEMBL23946379 0.72 TOP1 (0.60) SMN1; SMN2NPC1RAB9AKDRMAPK1
SCHEMBL3525387 0.72 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AKDRMAPK1

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
CN-117304233-B Iridium metal complex, application thereof and organic electroluminescent device TSINGHUA UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-117304233-A Iridium metal complex, application thereof and organic electroluminescent device 清华大学 2023-12-29 CN disclosed