SCHEMBL27852002

SCHEMBL27852002

Cc1cc(-c2ccccc2)c(F)c2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.56
JAK1 P23458 7/20 0.56
TYK2 P29597 7/20 0.56
JAK3 P52333 7/20 0.56
PARP1 P09874 1/20 0.49
BTK Q06187 6/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
POLB P06746 1/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 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
SCHEMBL142282 0.87 JAK2 (0.69) JAK2JAK1TYK2JAK3BTK
SCHEMBL27833910 0.84 PARP1 (0.52) JAK2JAK1TYK2JAK3PARP1
SCHEMBL27852007 0.81 PARP1 (0.55) JAK2JAK1TYK2JAK3PARP1
SCHEMBL27997776 0.79 JAK2 (0.46) JAK2JAK1TYK2JAK3PARP1
SCHEMBL141763 0.78 JAK2 (0.72) JAK2JAK1TYK2JAK3BTK
SCHEMBL27833940 0.75 JAK2 (0.76) JAK2JAK1TYK2JAK3PARP1
SCHEMBL27998023 0.74 JAK2 (0.53) JAK2JAK1TYK2JAK3PARP1
SCHEMBL139641 0.73 JAK2 (0.60) JAK2JAK1TYK2JAK3BTK
SCHEMBL140129 0.72 JAK2 (1.00) JAK2JAK1TYK2JAK3BTK
SCHEMBL140372 0.71 JAK2 (0.61) JAK2JAK1TYK2JAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102325752-A Carbazole and carboline kinase inhibitors BRISTOL MYERS SQUIBB CO 2012-01-18 CN disclosed