SCHEMBL2807435

SCHEMBL2807435

Clc1cc(-n2cccc2)nc(-n2cccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 4/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HTT P42858 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL10498362 0.87 MAPT (0.40) MAPTKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL6141091 0.81 POLB (0.35) MAPTKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL10099648 0.71 MAPK1 (0.42) MAPTKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL6141075 0.71 LMNA (0.37) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL16151331 0.69 POLB (0.48) MAPTKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL7593026 0.67 ALDH1A1 (0.60) MAPTKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL31014788 0.64 ALDH1A1 (0.52) MAPTKMT2AMEN1L3MBTL1ALDH1A1
Aethimidinum SCHEMBL29352989 0.64 CASP1 (0.50) MAPTKMT2ACYP1A2CYP2D6
SCHEMBL5192452 0.62 NPSR1 (0.50) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL855348 0.62 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1CYP1A2

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