SCHEMBL30690740

SCHEMBL30690740

Cc1ncc(NC(=O)CN2CC[C@@H](C)C2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.43
DYRK1A Q13627 16/20 0.43
WNT1 P04628 14/20 0.43
KIT P10721 2/20 0.41
CSF1R P07333 1/20 0.41
ABL1 P00519 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TSHR P16473 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
SCHEMBL30690448 1.00 GSK3B (0.43) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690728 0.97 GSK3B (0.43) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690625 0.96 ALDH1A1 (0.41) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690641 0.93 ALDH1A1 (0.41) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690716 0.93 GSK3B (0.45) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690501 0.93 GSK3B (0.45) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690667 0.93 KIT (0.42) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690608 0.92 GSK3B (0.43) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690591 0.91 GSK3B (0.47) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690511 0.91 KIT (0.43) GSK3BDYRK1AWNT1KITCSF1R

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