SCHEMBL30690767

SCHEMBL30690767

Cc1ncc(NC(=O)CN2CCCCC2)cc1NC(=O)c1cnc2[nH]c(C3=CCOCC3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.45
ULK1 O75385 1/20 0.40
BTK Q06187 4/20 0.38
PARP1 P09874 2/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 1/20 0.35
WNT3A P56704 1/20 0.35
TERT O14746 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL30690690 0.90 KIT (0.43) KITULK1BTKWNT3A
SCHEMBL30690442 0.90 KIT (0.41) KITULK1BTKWNT3A
SCHEMBL30690732 0.89 KIT (0.41) KITPARP1MAPTLMNASMN1; SMN2
SCHEMBL30690444 0.89 KIT (0.40) KITPARP1MAPTLMNASMN1; SMN2
SCHEMBL30690542 0.88 KIT (0.39) KITULK1BTK
SCHEMBL30690482 0.88 KIT (0.41) KITULK1BTKSMN1; SMN2GAA
SCHEMBL30690484 0.87 KIT (0.48) KITBTKPARP1MAPTLMNA
SCHEMBL30690654 0.82 GSK3B (0.46) KITPARP1MAPTLMNASMN1; SMN2
SCHEMBL30690508 0.82 PARP1 (0.41) PARP1MAPTLMNASMN1; SMN2WNT3A
SCHEMBL30690587 0.82 GSK3B (0.46) KITPARP1MAPTLMNASMN1; SMN2

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