SCHEMBL2773009

SCHEMBL2773009

CNc1nc(N)c(C)c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.36
LMNA P02545 2/20 0.33
KMT2A Q03164 1/20 0.33
TERT O14746 1/20 0.33
GAA P10253 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
PDE4A P27815 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31

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
SCHEMBL2372149 0.87 LMNA (0.34) NOS1LMNAKMT2ATERT
SCHEMBL474962 0.80 NOS1 (0.37) NOS1LMNAKMT2ATERTGAA
SCHEMBL15392106 0.74 NUDT1 (0.56) NOS1TDP1
SCHEMBL2745624 0.74 TLR8 (0.33) NOS1
SCHEMBL6015570 0.73 ABCB1 (0.57) LMNAGAAMAPTRAB9A
SCHEMBL24655832 0.72 ALDH1A1 (0.33) LMNATERTGAACYP2C19CYP1A2
SCHEMBL9643033 0.72 KMT2A (0.37) NOS1LMNAKMT2ATDP1HPGD
SCHEMBL1777021 0.72 HTR1A (0.51) MAPT
SCHEMBL3240358 0.72 RAB9A (0.44) LMNAKMT2AGAACYP2C19CYP1A2
SCHEMBL6015600 0.71 POLB (0.41) KMT2AGAATDP1HPGDPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152675-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-02-17 EP disclosed
WO-2008152223-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2008-12-18 WO disclosed