SCHEMBL29313537

SCHEMBL29313537

CNc1ncc(C#N)c(NCc2ccccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.56
PTK2B Q14289 1/20 0.56
KCNA5 P22460 2/20 0.44
MAP3K8 P41279 2/20 0.44
PGK1 P00558 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
IGF1R P08069 2/20 0.43
FGFR1 P11362 2/20 0.43
KDR P35968 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL29313615 0.85 VNN1 (0.47) PTK2PTK2BPGK1ALDH1A1MEN1
SCHEMBL29313552 0.85 PTK2 (0.43) PTK2PTK2BHDAC3HDAC1HDAC2
SCHEMBL29313606 0.84 PTK2 (0.40) PTK2PTK2BPGK1KDM4EGAA
SCHEMBL29313621 0.84 PTK2 (0.41) PTK2PTK2BALDH1A1MEN1KMT2A
SCHEMBL18419810 0.81 APP (0.48) PTK2PTK2BPGK1LMNAKDM4E
SCHEMBL29313542 0.79 ALDH1A1 (0.54) MAP3K8PGK1LMNATSHRHTT
SCHEMBL9849594 0.78 LMNA (0.49) PTK2PTK2BKCNA5PGK1LMNA
SCHEMBL29315070 0.77 MAP3K8 (0.45) PTK2PTK2BMAP3K8KDM4EALDH1A1
SCHEMBL9849512 0.76 MAOA (0.51) KCNA5PGK1LMNATSHRHTT
SCHEMBL29315097 0.75 MAP3K8 (0.43) PTK2PTK2BMAP3K8IGF1RSYK

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