SCHEMBL30690649

SCHEMBL30690649

Cc1ncc(NC(=O)c2cnc3[nH]c(-c4cnn(C)c4)cc3c2)cc1NC(=O)CN1CCCC[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 5/20 0.46
GSK3B P49841 5/20 0.46
DYRK1A Q13627 5/20 0.46
KIT P10721 4/20 0.41
CSF1R P07333 1/20 0.41
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TERT O14746 2/20 0.37
MLLT1 Q03111 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MLLT3 P42568 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL30690515 0.97 WNT1 (0.46) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690661 0.97 WNT1 (0.46) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690637 0.97 WNT1 (0.46) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690664 0.95 GSK3B (0.49) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690548 0.95 GSK3B (0.49) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL27274304 0.88 GSK3B (0.46) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690479 0.88 GSK3B (0.42) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690698 0.87 WNT1 (0.51) WNT1GSK3BDYRK1ATERTMLLT1
SCHEMBL30690439 0.87 KIT (0.41) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690747 0.87 KIT (0.41) WNT1GSK3BDYRK1AKITCSF1R

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