SCHEMBL3362371

SCHEMBL3362371

CNc1ccc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.38
WEE1 P30291 1/20 0.37
TNK2 Q07912 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ZAP70 P43403 1/20 0.36
CDK6 Q00534 3/20 0.36
CDK1 P06493 3/20 0.36
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNE2 O96020 2/20 0.36
CCND3 P30281 2/20 0.36
STK17A Q9UEE5 1/20 0.35
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
CSF1R P07333 1/20 0.34
BTK Q06187 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 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
SCHEMBL3363275 0.87 ZAP70 (0.38) SYKWEE1TNK2ZAP70STK17A
SCHEMBL3360058 0.84 JAK3 (0.40) SYKZAP70
SCHEMBL3362432 0.83 TNK2 (0.38) SYKWEE1TNK2ZAP70STK17A
SCHEMBL3359057 0.82 SYK (0.41) SYKZAP70
SCHEMBL3358388 0.81 MAP3K12 (0.39) SYKWEE1TNK2ZAP70BTK
SCHEMBL3363125 0.80 ZAP70 (0.49) ZAP70
SCHEMBL3362356 0.80 BTK (0.38) SYKWEE1TNK2ZAP70BTK
SCHEMBL3360064 0.80 ACVR1 (0.34) SYKWEE1TNK2CDK1CCNA2
SCHEMBL3357802 0.79 ALK (0.39) SYKTNK2ZAP70AXLTYRO3
SCHEMBL3359641 0.79 ZAP70 (0.41) SYKTNK2ZAP70CSF1R

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