SCHEMBL30690664

SCHEMBL30690664

Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.49
DYRK1A Q13627 7/20 0.49
WNT1 P04628 6/20 0.49
KIT P10721 4/20 0.41
CSF1R P07333 1/20 0.41
MLLT1 Q03111 5/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CHRM1 P11229 1/20 0.37
PDGFRA P16234 1/20 0.37
MLLT3 P42568 1/20 0.37
ABL1 P00519 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL30690548 1.00 GSK3B (0.49) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690515 0.98 WNT1 (0.46) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690637 0.98 WNT1 (0.46) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690661 0.98 WNT1 (0.46) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690649 0.95 WNT1 (0.46) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690479 0.93 GSK3B (0.42) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690695 0.92 GSK3B (0.48) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690761 0.92 KIT (0.41) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690719 0.91 KIT (0.40) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690588 0.91 GSK3B (0.40) 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