SCHEMBL30690482

SCHEMBL30690482

Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1cnc2[nH]c(C3=CCOCC3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.41
HRH3 Q9Y5N1 4/20 0.40
ULK1 O75385 1/20 0.38
BTK Q06187 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
WNT1 P04628 3/20 0.35
GSK3B P49841 3/20 0.35
DYRK1A Q13627 3/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MLLT1 Q03111 4/20 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
SCHEMBL30690504 0.93 HRH3 (0.39) KITHRH3SMN1; SMN2RECQLWNT1
SCHEMBL30690767 0.88 KIT (0.45) KITULK1BTKSMN1; SMN2MEN1
SCHEMBL30690653 0.88 KIT (0.44) KITHRH3BTKSMN1; SMN2RECQL
SCHEMBL30690442 0.86 KIT (0.41) KITULK1BTK
SCHEMBL27275910 0.86 KIT (0.41) KITHRH3SMN1; SMN2RECQLWNT1
SCHEMBL30690737 0.86 KIT (0.41) KITHRH3SMN1; SMN2RECQLWNT1
SCHEMBL30690692 0.86 HRH3 (0.36) KITHRH3SMN1; SMN2RECQLWNT1
SCHEMBL30690443 0.85 CCNE1 (0.40) HRH3SMN1; SMN2RECQLWNT1GSK3B
SCHEMBL30690710 0.85 KIT (0.49) KITHRH3SMN1; SMN2RECQLWNT1
SCHEMBL30690762 0.85 GSK3B (0.38) KITHRH3SMN1; SMN2RECQLWNT1

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