SCHEMBL25275689

SCHEMBL25275689

O=C(O)N1CCC2(CC1)CN(c1ncnc3ccc(CCc4cccnc4)cc13)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 4/20 0.43
▸ PDGFRA P16234 4/20 0.43
▸ CYP1A2 P05177 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ AKT1 P31749 5/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39

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
SCHEMBL25229702 0.91 AKT1 (0.44) PDGFRBPDGFRAAKT1JAK3KIT
SCHEMBL25234444 0.89 PDGFRB (0.41) PDGFRBCYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL30406267 0.89 PDGFRB (0.41) PDGFRBCYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL25437390 0.87 KIT (0.51) PDGFRBPDGFRACYP1A2CYP3A4MEN1
SCHEMBL30406053 0.87 KIT (0.51) PDGFRBPDGFRACYP1A2CYP3A4MEN1
SCHEMBL30405196 0.85 PDGFRB (0.41) PDGFRBPDGFRACYP1A2CYP3A4MEN1
SCHEMBL25725210 0.84 CYP1A2 (0.41) PDGFRBPDGFRACYP1A2CYP3A4KDM4E
SCHEMBL31027439 0.84 CYP1A2 (0.51) PDGFRBPDGFRACYP1A2CYP3A4KDM4E
SCHEMBL31501681 0.84 CYP1A2 (0.51) PDGFRBPDGFRACYP1A2CYP3A4KDM4E
SCHEMBL25276551 0.84 CYP1A2 (0.51) PDGFRBPDGFRACYP1A2CYP3A4KDM4E

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-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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