SCHEMBL3362577

SCHEMBL3362577

CN1CCC(Oc2ccc(Nc3nc(-c4ccc(N)nc4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.48
CLK2 P49760 3/20 0.48
CLK3 P49761 3/20 0.48
ZAP70 P43403 2/20 0.41
CAMK2D Q13557 1/20 0.40
GSK3B P49841 6/20 0.38
WEE1 P30291 1/20 0.38
PIK3CA P42336 1/20 0.38
KDR P35968 2/20 0.36
LCK P06239 1/20 0.36
MAPK14 Q16539 1/20 0.36
CHEK2 O96017 1/20 0.36
WNT1 P04628 1/20 0.36
AXL P30530 3/20 0.35
CD63 P08962 1/20 0.35
SYK P43405 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL3357806 0.90 DYRK1A (0.40) DYRK1ACLK2CLK3ZAP70GSK3B
SCHEMBL3362712 0.88 TBK1 (0.36) DYRK1ACLK2CLK3ZAP70PIK3CA
SCHEMBL3363124 0.88 ZAP70 (0.46) ZAP70BRD4
SCHEMBL3360034 0.82 ZAP70 (0.45) DYRK1AZAP70CAMK2DGSK3BWEE1
SCHEMBL3362467 0.81 ZAP70 (0.49) ZAP70PIK3CABRD4
SCHEMBL3360687 0.79 ZAP70 (0.47) ZAP70BRD4
SCHEMBL3362632 0.79 ZAP70 (0.45) ZAP70SYKBRD4
SCHEMBL3360215 0.78 PTK2 (0.39) ZAP70PIK3CASYK
SCHEMBL3362296 0.78 ZAP70 (0.49) ZAP70BRD4
SCHEMBL1047642 0.78 ZAP70 (0.67) DYRK1ACLK2CLK3ZAP70CAMK2D

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 4 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
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