SCHEMBL14249703

SCHEMBL14249703

OCC1(O)CCN(c2nc(-c3cnc(N4CCOCC4)nc3)c3ncn(C4CCCCO4)c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.51
PIK3CA P42336 10/20 0.45
MTOR P42345 2/20 0.45
PIK3R1 P27986 9/20 0.41
HDAC1 Q13547 6/20 0.40
YTHDC1 Q96MU7 1/20 0.38
PIK3CD O00329 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
JAK3 P52333 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36

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
SCHEMBL14249658 0.92 FLT3 (0.49) FLT3PIK3CAMTORPIK3R1HDAC1
SCHEMBL14249330 0.86 FLT3 (0.42) FLT3PIK3CAMTORPIK3R1HDAC1
SCHEMBL14316114 0.81 YTHDC1 (0.56) FLT3PIK3CAMTORYTHDC1CYP2C19
SCHEMBL12910252 0.77 FLT3 (0.56) FLT3PIK3CAMTORHDAC1PIK3CG
SCHEMBL14250350 0.77 FLT3 (0.43) FLT3PIK3CAMTORPIK3R1HDAC1
SCHEMBL244259 0.75 FLT3 (0.63) FLT3PIK3CAMTORPIK3R1YTHDC1
SCHEMBL14251147 0.74 FLT3 (0.42) FLT3YTHDC1CYP2C19
SCHEMBL14296923 0.73 FLT3 (0.38) FLT3PIK3CAYTHDC1
SCHEMBL8062689 0.73 PIK3CA (0.64) FLT3PIK3CAMTORPIK3R1HDAC1
SCHEMBL14325243 0.73 FLT3 (0.44) FLT3HDAC1YTHDC1CYP2C19HDAC3

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-2012172043-A1 PURINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS FOR PREVENTION OR TREATMENT OF BACTERIAL INFECTIONS LABORATOIRE BIODIM (FR) 2012-12-20 WO disclosed
WO-2012172043-A1 PURINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS FOR PREVENTION OR TREATMENT OF BACTERIAL INFECTIONS LABORATOIRE BIODIM (FR) 2012-12-20 WO disclosed