SCHEMBL26669348

SCHEMBL26669348

Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.45
AURKA O14965 2/20 0.44
AURKB Q96GD4 2/20 0.44
JAK3 P52333 6/20 0.43
IGF1R P08069 5/20 0.43
JAK1 P23458 2/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
TYK2 P29597 1/20 0.40
RIPK1 Q13546 1/20 0.39
PLK4 O00444 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL19823081 0.99 RET (0.45) RETAURKAAURKBJAK3IGF1R
SCHEMBL19364237 0.96 JAK3 (0.46) RETAURKAAURKBJAK3IGF1R
SCHEMBL29970687 0.82 AURKA (0.52) RETAURKAAURKBJAK3IGF1R
SCHEMBL12303128 0.80 GSK3A (0.55) RETIGF1R
SCHEMBL28462357 0.76 IGF1R (0.53) RETAURKAAURKBJAK3IGF1R
SCHEMBL19364254 0.75 NOS3 (0.50) RETAURKAAURKBJAK3IGF1R
SCHEMBL13268332 0.74 AURKA (0.54) RETAURKAAURKBJAK3FGFR1
SCHEMBL802067 0.73 AURKA (0.38) AURKAAURKBIGF1RFGFR1KDR
SCHEMBL19626476 0.72 KMT2A (0.54) JAK3JAK1TYK2LRRK2
SCHEMBL28921761 0.72 ITK (0.43) RETAURKAAURKBJAK3IGF1R

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-3371171-B1 INHIBITORS OF RET BLUEPRINT MEDICINES CORP (US) 2023-10-25 EP disclosed