SCHEMBL31000102

SCHEMBL31000102

COc1ccn2cc(I)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 2/20 0.47
TLR9 Q9NR96 13/20 0.46
TLR7 Q9NYK1 12/20 0.46
METTL3 Q86U44 2/20 0.40
EPHX2 P34913 1/20 0.39
TP53 P04637 1/20 0.38
TLR8 Q9NR97 2/20 0.37
SUV39H2 Q9H5I1 1/20 0.36

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
SCHEMBL31082292 0.82 SUV39H2 (0.37) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL7975599 0.81 KDM4E (0.51) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL22129495 0.79 TLR9 (0.52) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL29373485 0.79 TLR9 (0.47) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL753696 0.79 NPC1 (0.47) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL13050350 0.77 TLR9 (0.46) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL13080337 0.77 METTL3 (0.49) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL18569907 0.77 SMN1; SMN2 (0.57) NPC1RAB9AKDM4EPKMTP53
SCHEMBL25045598 0.76 SMN1; SMN2 (0.36) NPC1RAB9AKDM4EPKMTLR9
SCHEMBL22529077 0.76 METTL3 (0.47) NPC1RAB9AKDM4EPKMTLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 EP disclosed
CN-118613480-A Polycyclic IRAK and FLT3 inhibiting compounds and uses thereof 儿童医院医学中心 2024-09-06 CN disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 WO disclosed