SCHEMBL2955281

SCHEMBL2955281

Cc1cc(CN2CCOCC2)ccc1-c1nc2c(N)nc(N)nc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 3/20 0.45
CHUK O15111 2/20 0.45
MAPK8 P45983 2/20 0.45
INSR P06213 1/20 0.45
ILK Q13418 1/20 0.43
JAK2 O60674 2/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PTPN1 P18031 1/20 0.40
ADORA2A P29274 1/20 0.40
PARP1 P09874 2/20 0.39
KLKB1 P03952 1/20 0.39
CSF1R P07333 1/20 0.39
TLR7 Q9NYK1 3/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2953601 0.85 PARP1 (0.42) INSRILKADORA2APARP1CSF1R
SCHEMBL2951931 0.82 PRKDC (0.42) ADORA2ANPC1TP53MAPK1RAB9A
SCHEMBL2952310 0.82 NPC1 (0.50) CAMKK2CHUKMAPK8INSRADORA2A
SCHEMBL2953250 0.73 CARM1 (0.40) ADORA2ATLR7TLR8
SCHEMBL2946044 0.72 MAPT (0.43) INSRADORA2AMAPK1SMN1; SMN2
SCHEMBL2955288 0.71 TLR7 (0.42) ILKJAK2JAK1TYK2JAK3
SCHEMBL2952943 0.71 MAP2K7 (0.45) INSR
SCHEMBL2946549 0.70 CDK1 (0.32) ADORA2APARP1NPC1RAB9ASMN1; SMN2
SCHEMBL2946541 0.70 CDK1 (0.41) ADORA2APARP1
SCHEMBL2953442 0.70 HRH4 (0.42) JAK2JAK1JAK3ADORA2APARP1

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
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed