SCHEMBL22508183

SCHEMBL22508183

COc1ccc(Nc2nccc(NCCCN)n2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 10/20 0.70
STK17B O94768 5/20 0.70
IGF1R P08069 1/20 0.57
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
BCL6 P41182 4/20 0.51
EPHB4 P54760 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
BCDIN3D Q7Z5W3 1/20 0.46

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
SCHEMBL20154824 0.83 STK17A (1.00) STK17ASTK17B
SCHEMBL20154728 0.80 STK17A (1.00) STK17ASTK17B
SCHEMBL21365160 0.79 STK17A (0.67) STK17ASTK17BGAA
SCHEMBL22508341 0.78 STK17A (0.76) STK17ASTK17BMAPTMEN1LMNA
SCHEMBL22508340 0.77 STK17A (0.75) STK17ASTK17B
SCHEMBL21364913 0.76 STK17A (0.88) STK17ASTK17B
SCHEMBL22508313 0.76 STK17A (0.73) STK17ASTK17BMAPTMEN1LMNA
SCHEMBL22490561 0.75 STK17A (0.76) STK17ASTK17BMAPTNPC1RAB9A
SCHEMBL17231255 0.74 IGF1R (0.65) IGF1RMAPTMEN1LMNAKMT2A
SCHEMBL11935576 0.73 STK17B (0.57) STK17ASTK17BMAPTMEN1KMT2A

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
EP-3539951-B1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES KOREA RES INST CHEMICAL TECH (KR) 2020-10-07 EP disclosed