SCHEMBL3358542

SCHEMBL3358542

O=C1[N]C=Cc2cc(-c3cncnc3)nc(Nc3ccc(CCN4CCOCC4)cc3)c21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
EGFR P00533 1/20 0.41
IGF1R P08069 3/20 0.39
CDK1 P06493 2/20 0.39
KDR P35968 2/20 0.39
AVPR1B P47901 1/20 0.36
TNIK Q9UKE5 1/20 0.36
ZAP70 P43403 2/20 0.36
CD274 Q9NZQ7 1/20 0.35
CAMK2D Q13557 1/20 0.35
P2RX3 P56373 1/20 0.34
FGFR1 P11362 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL3361696 0.90 SYK (0.43) SYKABL1BCREGFRIGF1R
SCHEMBL3359073 0.88 TNIK (0.42) SYKABL1BCREGFRIGF1R
SCHEMBL3359920 0.83 IGF1R (0.39) SYKABL1BCREGFRIGF1R
SCHEMBL1158304 0.79 ZAP70 (0.44) SYKABL1KDRZAP70
SCHEMBL3362294 0.79 BCHE (0.45) SYKEGFRCDK1KDR
SCHEMBL3359957 0.78 SYK (0.43) SYKABL1BCREGFRCDK1
SCHEMBL1044291 0.77 ZAP70 (0.61) SYKZAP70
SCHEMBL3362166 0.77 ZAP70 (0.49) SYKEGFRZAP70
SCHEMBL1159575 0.76 ZAP70 (0.49) SYKZAP70
SCHEMBL3362036 0.75 MAP3K11 (0.37) SYKEGFRKDRZAP70

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed