SCHEMBL30690484

SCHEMBL30690484

CC(=O)N1CC=C(c2cc3cc(C(=O)Nc4cc(NC(=O)CN5CCCCC5)cnc4C)cnc3[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.48
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
CCNT1 O60563 5/20 0.37
CDK9 P50750 5/20 0.37
WNT3A P56704 1/20 0.37
BTK Q06187 4/20 0.36
PARP1 P09874 2/20 0.36
TERT O14746 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30690653 0.88 KIT (0.44) KITCCNT1CDK9WNT3ABTK
SCHEMBL30690767 0.87 KIT (0.45) KITLMNAMAPTWNT3ABTK
SCHEMBL30690444 0.84 KIT (0.40) KITLMNAMAPTPARP1TERT
SCHEMBL30690732 0.83 KIT (0.41) KITLMNAMAPTWNT3APARP1
SCHEMBL30690620 0.81 GSK3B (0.45) KITLMNAMAPTPARP1TERT
SCHEMBL30690654 0.81 GSK3B (0.46) KITLMNAMAPTPARP1SMN1; SMN2
SCHEMBL30690587 0.81 GSK3B (0.46) KITLMNAMAPTPARP1SMN1; SMN2
SCHEMBL27273394 0.81 GSK3B (0.46) KITLMNAMAPTPARP1SMN1; SMN2
SCHEMBL30690440 0.81 PARP1 (0.37) KITLMNAMAPTPARP1TERT
SCHEMBL30690505 0.79 KDR (0.40) KITLMNAMAPTPARP1ALDH1A1

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