SCHEMBL29313569

SCHEMBL29313569

CNc1ncc(C#N)c(NCC2CCCO2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 11/20 0.48
CHEK1 O14757 1/20 0.46
JAK2 O60674 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
ROS1 P08922 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
TYK2 P29597 1/20 0.46
ALK Q9UM73 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAP3K8 P41279 1/20 0.45
MAPT P10636 2/20 0.45
PLK1 P53350 1/20 0.45

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
SCHEMBL29313573 0.80 LRRK2 (0.47) CHEK1JAK2
SCHEMBL29314449 0.78 CHEK1 (0.49) CHEK1MAP3K8MAPK1
SCHEMBL4766348 0.77 CCNA2 (0.59) TNK2CHEK1JAK2ABL1LCK
SCHEMBL29313579 0.77 KAT2B (0.42) ABL1SRCMAP3K8
SCHEMBL3892231 0.74 KDM4E (0.45) TNK2ALDH1A1KDM4EGAANPC1
SCHEMBL22079965 0.73 CHEK1 (0.53) CHEK1ALDH1A1KDM4EGAANPC1
SCHEMBL4770586 0.73 CCNA2 (0.59) TNK2CHEK1JAK2ABL1LCK
SCHEMBL12523516 0.72 ALDH1A1 (0.55) TNK2ALDH1A1KDM4EGAANPC1
SCHEMBL23019347 0.72 PRKCQ (0.41)
SCHEMBL29313773 0.71 CCNA2 (0.46) ALDH1A1KDM4EHPGD

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-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed