SCHEMBL30690732

SCHEMBL30690732

Cc1ncc(NC(=O)CN2CCCCC2)cc1NC(=O)c1cnc2[nH]c(C3=CCCOC3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.41
PARP1 P09874 2/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDR P35968 1/20 0.34
WNT3A P56704 3/20 0.34
TERT O14746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL30690767 0.89 KIT (0.45) KITPARP1LMNAMAPTSMN1; SMN2
SCHEMBL30690444 0.86 KIT (0.40) KITPARP1LMNAMAPTSMN1; SMN2
SCHEMBL30690484 0.83 KIT (0.48) KITPARP1LMNAMAPTSMN1; SMN2
SCHEMBL30690508 0.82 PARP1 (0.41) PARP1LMNAMAPTSMN1; SMN2WNT3A
SCHEMBL30690587 0.82 GSK3B (0.46) KITPARP1LMNAMAPTSMN1; SMN2
SCHEMBL30690654 0.82 GSK3B (0.46) KITPARP1LMNAMAPTSMN1; SMN2
SCHEMBL30690620 0.82 GSK3B (0.45) KITPARP1LMNAMAPTSMN1; SMN2
SCHEMBL27273394 0.82 GSK3B (0.46) KITPARP1LMNAMAPTSMN1; SMN2
SCHEMBL30690688 0.81 PDGFRA (0.37) KIT
SCHEMBL30690504 0.81 HRH3 (0.39) KITSMN1; SMN2ALDH1A1GAAMEN1

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