SCHEMBL3363322

SCHEMBL3363322

O=C1[N]C=Cc2cc(-c3cncnc3)nc(Nc3ccc(C4CCNCC4)c(C(F)(F)F)c3)c21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.38
APP P05067 1/20 0.36
CSF1R P07333 1/20 0.36
CDK4 P11802 1/20 0.36
CDK6 Q00534 1/20 0.36
NOTUM Q6P988 2/20 0.33
HTR2C P28335 2/20 0.33
ALK Q9UM73 2/20 0.32
TYK2 P29597 1/20 0.32
PTK2 Q05397 1/20 0.32
SYK P43405 3/20 0.32
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
CHEK1 O14757 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL1158187 0.89 SYK (0.40) ZAP70APPCSF1RCDK4CDK6
SCHEMBL3359095 0.89 ZAP70 (0.45) ZAP70PTK2SYK
SCHEMBL3360732 0.88 CSF1R (0.38) APPCSF1RCDK4CDK6NOTUM
SCHEMBL28790593 0.79 ZAP70 (0.35) ZAP70APPCSF1RCDK4CDK6
SCHEMBL1049720 0.79 ZAP70 (0.61) ZAP70APPCSF1RCDK4CDK6
SCHEMBL3361975 0.78 KDR (0.38) ZAP70PTK2SYK
SCHEMBL3361858 0.78 ZAP70 (0.47) ZAP70APPCSF1RCDK4CDK6
SCHEMBL3359250 0.77 ZAP70 (0.53) ZAP70SYK
SCHEMBL3360152 0.76 ZAP70 (0.64) ZAP70SYK
SCHEMBL3359784 0.75 ZAP70 (0.51) ZAP70ALKSYKFLT3

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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed