SCHEMBL30907233

SCHEMBL30907233

Clc1cc2cnc3[nH]ncc3c2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.43
RET P07949 1/20 0.43
PI4KA P42356 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
MKNK1 Q9BUB5 4/20 0.40
PDPK1 O15530 1/20 0.40
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
NUDT1 P36639 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
ADORA2A P29274 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL30907574 0.74 PRKCI (0.49) MKNK1NUDT1RPS6KB1MAPK1
SCHEMBL29545399 0.71 NOS1 (0.53) MKNK1CHEK1RAB9ACDK2MAPK1
SCHEMBL29366050 0.71 NOS1 (0.53) MKNK1CHEK1LMNARAB9ACDK2
SCHEMBL16179044 0.71 NOS1 (0.53) MKNK1CHEK1RAB9ACDK2MAPK1
SCHEMBL5066090 0.71 NOS1 (0.53) MKNK1CHEK1LMNARAB9ACDK2
SCHEMBL30907298 0.70 MAPK1 (0.33) RETLRRK2AURKACDK9PAK4
SCHEMBL15577658 0.70 NOS1 (0.53) XDHRETPI4KALRRK2PI4K2B
SCHEMBL25207869 0.69 ALDH1A1 (0.47) XDHMKNK1CHEK1LMNATSHR
SCHEMBL30352734 0.69 ALDH1A1 (0.47) XDHMKNK1CHEK1LMNATSHR
SCHEMBL5569363 0.68 MAPK1 (0.55) XDHRETPI4KALRRK2PI4K2B

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
WO-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed