SCHEMBL5226399

SCHEMBL5226399

Cn1c(NCc2ccccc2)nc2cc(N)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 3/20 0.55
ALOX15 P16050 1/20 0.55
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.50
HDAC6 Q9UBN7 2/20 0.48
KDM4E B2RXH2 1/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HDAC1 Q13547 1/20 0.46
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL4984503 0.88 NPC1 (0.67) RAB9ANPC1SMN1; SMN2KMT2AMAPK1
SCHEMBL5228756 0.86 LMNA (0.55) SMN1; SMN2MAPK1LMNAKDM4ETP53
SCHEMBL14263316 0.86 NPC1 (0.67) RAB9ANPC1SMN1; SMN2KMT2AMAPK1
SCHEMBL4980587 0.86 HDAC6 (0.64) RAB9ANPC1SMN1; SMN2MAPK1ALOX15
SCHEMBL14263394 0.86 CYP3A4 (0.54) RAB9ANPC1SMN1; SMN2KMT2AMAPK1
SCHEMBL14263411 0.86 MAPK1 (0.53) RAB9ANPC1SMN1; SMN2KMT2AMAPK1
SCHEMBL14263338 0.86 NPC1 (0.53) RAB9ANPC1SMN1; SMN2KMT2AMAPK1
SCHEMBL5225740 0.84 NPC1 (0.61) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL14263326 0.82 SMN1; SMN2 (0.72) RAB9ANPC1SMN1; SMN2KMT2AMAPK1
SCHEMBL12413898 0.80 NPC1 (0.53) RAB9ANPC1SMN1; SMN2KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed