SCHEMBL27019339

SCHEMBL27019339

CNc1nc(N)nc(NC(C)(C)C)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.64
CYP1A2 P05177 3/20 0.64
CYP2C19 P33261 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 4/20 0.50
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
IDH1 O75874 1/20 0.39
IDH2 P48735 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL11251263 0.91 SMN1; SMN2 (0.65) PDE4ACYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL14438979 0.89 PDE4A (0.78) PDE4ACYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL10599233 0.86 SMN1; SMN2 (0.58) PDE4ACYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL593132 0.83 ALDH1A1 (0.40) PDE4ACYP1A2CYP2C19LMNAALDH1A1
SCHEMBL8639738 0.78 PDE4A (1.00) PDE4ACYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL10896684 0.78 PDE4A (0.39) PDE4ACYP1A2CYP2C19MAPTLMNA
SCHEMBL9910 0.78 ALDH1A1 (0.40) PDE4ACYP1A2CYP2C19MAPTLMNA
SCHEMBL10619199 0.78 SMN1; SMN2 (0.74) PDE4ACYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL2491819 0.77 LMNA (0.72) PDE4ACYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL25422725 0.76 ALDH1A1 (0.42) PDE4ACYP1A2CYP2C19MAPTLMNA

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-20240018300-A1 MELAMINE-BASED POLYMERS AND USES THEREOF BIO-FENCE LTD. (IL) 2024-01-18 US disclosed