SCHEMBL3359512

SCHEMBL3359512

CC(=O)N1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4c3C(=O)[N]C=C4)cc2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.51
CREBBP Q92793 3/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SOS1 Q07889 1/20 0.34
BTK Q06187 1/20 0.34
SYK P43405 4/20 0.33
BRD4 O60885 2/20 0.33
EP300 Q09472 1/20 0.33
OPRL1 P41146 1/20 0.33
KDR P35968 1/20 0.33
KCNH2 Q12809 1/20 0.33
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL3357832 0.92 ZAP70 (0.42) ZAP70SOS1BTKSYKOPRL1
SCHEMBL3359250 0.90 ZAP70 (0.53) ZAP70SYKBRD4TBK1
SCHEMBL3359436 0.90 ZAP70 (0.48) ZAP70SYKKCNH2TBK1
SCHEMBL3358576 0.90 ZAP70 (0.40) ZAP70CREBBPSOS1BTKSYK
SCHEMBL3358701 0.89 ZAP70 (0.47) ZAP70SYKTBK1
SCHEMBL3360152 0.89 ZAP70 (0.64) ZAP70SYK
SCHEMBL3359784 0.88 ZAP70 (0.51) ZAP70SOS1SYK
SCHEMBL3358232 0.85 ZAP70 (0.46) ZAP70SYKTBK1
SCHEMBL3360670 0.84 ZAP70 (0.48) ZAP70SYK
SCHEMBL3362565 0.84 ZAP70 (0.40) ZAP70SOS1BTKTBK1

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