SCHEMBL9500914

SCHEMBL9500914

CN1CNC(=O)c2nccnc21.c1ccc2c(c1)O2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.35
PIM1 P11309 2/20 0.32
BRD4 O60885 1/20 0.31
MAPK7 Q13164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX4 Q99571 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9500898 0.87 JAK2 (0.35) NISCH
Propylene Oxide SCHEMBL9498943 0.81
SCHEMBL11284485 0.63 CYP11B2 (0.43)
SCHEMBL19526135 0.61 LMNA (0.36)
SCHEMBL6674432 0.61 GDA (0.38) BRD4ALDH1A1
SCHEMBL20011085 0.61 GDA (0.32) ALDH1A1
SCHEMBL1772622 0.60 KDM4E (0.43) BRD4KDM4EALDH1A1
SCHEMBL20182463 0.60 TNKS2 (0.32)
SCHEMBL2197993 0.60 MAOA (0.53) GAANPSR1
SCHEMBL310818 0.59 ALDH1A1 (0.42) KDM4EGAAALDH1A1

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
US-5270465-A 4(3H)-pteridinone compounds LIPHA, LYONNAISE INDUSTRILLE PHARMACEUTIQUE (FR) 1993-12-14 US claimed