SCHEMBL30690692

SCHEMBL30690692

Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1cnc2[nH]c(C3=CCC4(COC4)OC3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
KIT P10721 2/20 0.35
GSK3B P49841 4/20 0.35
DYRK1A Q13627 4/20 0.35
WNT1 P04628 3/20 0.35
MLLT1 Q03111 7/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MLLT3 P42568 2/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL30690504 0.90 HRH3 (0.39) HRH3SMN1; SMN2RECQLKITGSK3B
SCHEMBL30690482 0.86 KIT (0.41) HRH3SMN1; SMN2RECQLKITGSK3B
SCHEMBL30690653 0.83 KIT (0.44) HRH3SMN1; SMN2RECQLKITGSK3B
SCHEMBL27275910 0.82 KIT (0.41) HRH3SMN1; SMN2RECQLKITGSK3B
SCHEMBL30690737 0.82 KIT (0.41) HRH3SMN1; SMN2RECQLKITGSK3B
SCHEMBL30690581 0.82 HRH3 (0.37) HRH3SMN1; SMN2RECQLKITGSK3B
SCHEMBL30690762 0.82 GSK3B (0.38) HRH3SMN1; SMN2RECQLKITGSK3B
SCHEMBL30690710 0.82 KIT (0.49) HRH3SMN1; SMN2RECQLKITGSK3B
SCHEMBL30690609 0.81 GSK3B (0.49) HRH3SMN1; SMN2RECQLKITGSK3B
SCHEMBL30690516 0.81 GSK3B (0.37) HRH3SMN1; SMN2RECQLKITGSK3B

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-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO claimed