SCHEMBL4727573

SCHEMBL4727573

[CH2][CH]Nc1ccn2ncc(-c3ccc(OC)c(OC)c3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.60
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
PIK3CG P48736 3/20 0.52
TGFBR2 P37173 2/20 0.52
ACVR2A P27037 1/20 0.51
TGFBR1 P36897 1/20 0.51
GAK O14976 1/20 0.45
PIM1 P11309 5/20 0.43
PIM2 Q9P1W9 3/20 0.43

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
SCHEMBL4836241 0.89 FYN (0.60) FYNMAPTSMN1; SMN2LMNAPOLB
SCHEMBL4796523 0.82 FYN (0.56) FYNMAPTSMN1; SMN2MEN1NPC1
SCHEMBL4333167 0.81 PIK3CG (0.64) FYNMAPTSMN1; SMN2LMNAPOLB
SCHEMBL1424116 0.80 FYN (0.70) FYNMAPTSMN1; SMN2LMNAPOLB
SCHEMBL4338374 0.80 PIK3CG (0.71) FYNMAPTSMN1; SMN2LMNAPOLB
SCHEMBL4326781 0.80 FYN (0.66) FYNMAPTSMN1; SMN2LMNAPOLB
SCHEMBL4333345 0.78 PIM1 (0.71) FYNMAPTSMN1; SMN2LMNAPOLB
SCHEMBL1424073 0.78 MAPT (0.74) FYNMAPTSMN1; SMN2LMNAPOLB
SCHEMBL4558600 0.78 FYN (0.74) FYNMAPTSMN1; SMN2LMNAPOLB
SCHEMBL4328675 0.78 FYN (0.80) FYNMAPTSMN1; SMN2LMNAPOLB

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
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed