SCHEMBL29385696

SCHEMBL29385696

Oc1ncc2cc(Br)cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
DYRK1A Q13627 5/20 0.38
DYRK1B Q9Y463 4/20 0.36
AURKA O14965 2/20 0.35
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL16668494 1.00 SMN1; SMN2 (0.39) SMN1; SMN2DYRK1ADYRK1BAURKACHEK1
SCHEMBL29385941 0.75 SMN1; SMN2 (0.39) SMN1; SMN2DYRK1ADYRK1BAURKACHEK1
SCHEMBL16668649 0.75 SMN1; SMN2 (0.39) SMN1; SMN2DYRK1ADYRK1BAURKACHEK1
SCHEMBL5489275 0.75 FGFR1 (0.46) SMN1; SMN2DYRK1ADYRK1BAURKACHEK1
SCHEMBL1500697 0.74 SMN1; SMN2 (0.48) SMN1; SMN2DYRK1ADYRK1BAURKACHEK1
SCHEMBL12687394 0.73 DYRK1B (0.38) SMN1; SMN2DYRK1ADYRK1BAURKACHEK1
SCHEMBL24674322 0.72 DYRK1B (0.41) SMN1; SMN2DYRK1ADYRK1BAURKACHEK1
SCHEMBL31390052 0.71 SMN1; SMN2 (0.40) SMN1; SMN2DYRK1ADYRK1BAURKACHEK1
SCHEMBL5492504 0.71 SMN1; SMN2 (0.40) SMN1; SMN2DYRK1ADYRK1BAURKACHEK1
SCHEMBL21853634 0.69 HPGDS (0.42) SMN1; SMN2DYRK1ADYRK1BAURKACHEK1

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-110028491-B Fibroblast growth factor receptor inhibitors 缆图药品公司 2022-02-11 CN disclosed