SCHEMBL29066282

SCHEMBL29066282

c1ccc(Nc2ccnc(Nc3ccccc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 2/20 0.61
JAK2 O60674 1/20 0.55
TYK2 P29597 1/20 0.55
MAPKAPK2 P49137 1/20 0.55
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
AR P10275 1/20 0.54
RAB9A P51151 3/20 0.53
MAPK1 P28482 2/20 0.53
NPC1 O15118 2/20 0.53
CHEK1 O14757 1/20 0.53
IKBKB O14920 1/20 0.53
AURKA O14965 1/20 0.53
PDPK1 O15530 1/20 0.53
CHEK2 O96017 1/20 0.53
PRKCG P05129 1/20 0.53
CDK1 P06493 1/20 0.53
LYN P07948 1/20 0.53

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
SCHEMBL26186328 0.86 JAK2 (0.55) ACVRL1JAK2TYK2MAPKAPK2MAPT
SCHEMBL25610860 0.86 JAK2 (0.51) ACVRL1JAK2TYK2MAPKAPK2MAPT
SCHEMBL19476585 0.86 FLT4 (0.57) ACVRL1JAK2TYK2MAPKAPK2MAPT
SCHEMBL23588585 0.82 SCN9A (0.57) ACVRL1JAK2TYK2MAPTMEN1
SCHEMBL1518963 0.81 MAPK10 (0.59) ACVRL1JAK2TYK2MAPTRAB9A
SCHEMBL18298629 0.80 ALK (0.53) ACVRL1JAK2TYK2MAPKAPK2MAPT
SCHEMBL13151491 0.80 MAPK10 (0.62) MAPTRAB9AMAPK1NPC1CHEK1
SCHEMBL3871509 0.80 JAK2 (0.52) JAK2TYK2MAPTMEN1KMT2A
SCHEMBL23588551 0.80 KCNH2 (0.58) JAK2TYK2MAPTMEN1KMT2A
SCHEMBL5751084 0.80 NOS2 (0.57) JAK2MAPTMEN1KMT2AALDH1A1

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
CN-116723839-A Tricyclic heterobifunctional compounds for degrading target proteins C4医药公司 2023-09-08 CN disclosed