SCHEMBL14422682

SCHEMBL14422682

COc1ccccc1-c1nnc2ccc(NC3CC3)nn12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.64
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
MALT1 Q9UDY8 1/20 0.49
CDK2 P24941 3/20 0.47
JAK2 O60674 2/20 0.47
IRAK4 Q9NWZ3 2/20 0.47
FLT3 P36888 1/20 0.47
GSK3B P49841 1/20 0.47
JAK3 P52333 1/20 0.47
PRKCQ Q04759 1/20 0.47
MAPKAPK2 P49137 2/20 0.47
GSK3A P49840 2/20 0.47

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
SCHEMBL14422661 0.81 PIM1 (0.68) PIM1HSD17B10POLBMAPTMALT1
SCHEMBL14422770 0.79 PIM1 (0.53) PIM1HPGDSMN1; SMN2RAB9ATSHR
SCHEMBL14422651 0.79 PIM1 (0.64) PIM1MALT1CDK2JAK2IRAK4
SCHEMBL14422647 0.78 PIM1 (1.00) PIM1HSD17B10POLBMAPTCDK2
SCHEMBL14422676 0.78 PIM1 (1.00) PIM1HPGDTSHRHSD17B10POLB
SCHEMBL14422681 0.77 PIM1 (1.00) PIM1HSD17B10POLBMAPTCDK2
SCHEMBL1772796 0.76 TSHR (0.50) PIM1HPGDSMN1; SMN2TSHRHSD17B10
SCHEMBL14422668 0.74 PIM1 (1.00) PIM1HSD17B10POLBMAPTMALT1
SCHEMBL1054983 0.73 FYN (0.70) PIM1
SCHEMBL5618964 0.73 PIM1 (0.92) PIM1HSD17B10POLBMAPTCDK2

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
US-7268136-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-11 US disclosed
US-7268136-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-11 US disclosed