SCHEMBL30690481

SCHEMBL30690481

Cn1cc(-c2cc3cc(C(=O)Nc4cc(NC(=O)CN5C6CCC5COC6)cnc4F)cnc3[nH]2)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.48
DYRK1A Q13627 8/20 0.48
WNT1 P04628 6/20 0.48
ABL1 P00519 1/20 0.37
KIT P10721 5/20 0.36
CSF1R P07333 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
HDAC1 Q13547 1/20 0.34
EGFR P00533 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
TTK P33981 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
SCHEMBL30690480 0.92 WNT1 (0.39) GSK3BDYRK1AWNT1ABL1KIT
SCHEMBL30690553 0.92 GSK3B (0.49) GSK3BDYRK1AWNT1ABL1KIT
SCHEMBL30690547 0.86 GSK3B (0.46) GSK3BDYRK1AWNT1ABL1KIT
SCHEMBL30690544 0.86 GSK3B (0.46) GSK3BDYRK1AWNT1KIT
SCHEMBL30690461 0.85 WNT3A (0.42) GSK3BDYRK1AWNT1ABL1KIT
SCHEMBL30690703 0.85 GSK3B (0.50) GSK3BDYRK1AWNT1ABL1KIT
SCHEMBL30690725 0.85 GSK3B (0.48) GSK3BDYRK1AWNT1ABL1KIT
SCHEMBL30690674 0.85 ALDH1A1 (0.42) GSK3BDYRK1AWNT1ABL1KIT
SCHEMBL30690717 0.84 GSK3B (0.44) GSK3BDYRK1AWNT1ABL1KIT
SCHEMBL30690612 0.84 GSK3B (0.47) GSK3BDYRK1AWNT1ABL1KIT

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