SCHEMBL3359073

SCHEMBL3359073

COc1ncc(-c2cc3c(c(Nc4ccc(CCN5CCOCC5)cc4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.42
SYK P43405 2/20 0.41
CDK1 P06493 2/20 0.40
KDR P35968 2/20 0.40
CD274 Q9NZQ7 1/20 0.39
PDE5A O76074 1/20 0.39
IGF1R P08069 2/20 0.39
EGFR P00533 1/20 0.38
ZAP70 P43403 1/20 0.38
AVPR1B P47901 3/20 0.37
LRRK2 Q5S007 1/20 0.37
SRC P12931 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
CSF1R P07333 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 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
SCHEMBL3358542 0.88 SYK (0.42) TNIKSYKCDK1KDRCD274
SCHEMBL3362714 0.87 ABL1 (0.45) SYKKDRZAP70ABL1MAPT
SCHEMBL3361696 0.86 SYK (0.43) SYKCDK1KDRIGF1REGFR
SCHEMBL3359920 0.82 IGF1R (0.39) TNIKSYKCDK1KDRIGF1R
SCHEMBL3356910 0.81 MTOR (0.42) TNIKSYKEGFRCSF1R
SCHEMBL3362294 0.80 BCHE (0.45) SYKCDK1KDREGFRSRC
SCHEMBL3359360 0.80 SYK (0.40) SYKCDK1KDREGFRSRC
SCHEMBL3359957 0.79 SYK (0.43) SYKCDK1KDREGFRZAP70
SCHEMBL3357921 0.79 ZAP70 (0.47) EGFRZAP70
SCHEMBL1047253 0.79 ZAP70 (0.61) TNIKSYKZAP70

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