SCHEMBL30690684

SCHEMBL30690684

Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)c(F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.43
DYRK1A Q13627 12/20 0.43
WNT1 P04628 10/20 0.43
CSF1R P07333 3/20 0.43
KIT P10721 3/20 0.43
CHRM1 P11229 1/20 0.36
PDGFRA P16234 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ABL1 P00519 1/20 0.35
KCNH2 Q12809 1/20 0.34
HDAC1 Q13547 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
KDR P35968 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
SCHEMBL30690635 0.84 GSK3B (0.45) GSK3BDYRK1AWNT1CSF1RKIT
SCHEMBL30690532 0.84 GSK3B (0.47) GSK3BDYRK1AWNT1CSF1RKIT
SCHEMBL27274859 0.82 CSF1R (0.43) GSK3BDYRK1AWNT1CSF1RKIT
SCHEMBL30690525 0.79 GSK3B (0.42) GSK3BDYRK1AWNT1CSF1RKIT
SCHEMBL30690514 0.79 GSK3B (0.46) GSK3BDYRK1AWNT1CSF1RKIT
SCHEMBL30690657 0.76 WNT1 (0.37) GSK3BDYRK1AWNT1CSF1RKIT
SCHEMBL30690723 0.76 KIT (0.43) GSK3BDYRK1AWNT1CSF1RKIT
SCHEMBL30690592 0.76 KIT (0.41) GSK3BDYRK1AWNT1CSF1RKIT
SCHEMBL30690738 0.75 GSK3B (0.49) GSK3BDYRK1AWNT1CSF1RKIT
SCHEMBL30690447 0.75 DYRK1A (0.46) GSK3BDYRK1AWNT1CSF1RKIT

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