SCHEMBL3359096

SCHEMBL3359096

Cc1ccc(-c2cc3c(c(Nc4ccc(N5CCOCC5)c(F)c4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
SYK P43405 2/20 0.40
MTOR P42345 4/20 0.40
EGFR P00533 3/20 0.39
BTK Q06187 3/20 0.39
CSF1R P07333 1/20 0.39
CDK4 P11802 1/20 0.39
CDK6 Q00534 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
P2RX3 P56373 1/20 0.37
AXL P30530 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3362937 0.89 ZAP70 (0.48) JAK3JAK2JAK1TYK2SYK
SCHEMBL3356910 0.89 MTOR (0.42) JAK3JAK2JAK1TYK2SYK
SCHEMBL3359217 0.84 ZAP70 (0.49) JAK3JAK2JAK1TYK2SYK
SCHEMBL3359650 0.84 SYK (0.39) JAK3JAK2JAK1TYK2SYK
SCHEMBL3358704 0.84 PIK3CA (0.44) SYKMTORMAPK9MAPK10
SCHEMBL3359505 0.82 ZAP70 (0.47) JAK3JAK2SYKEGFRBTK
SCHEMBL3361956 0.82 EGFR (0.39) JAK3JAK2JAK1TYK2SYK
SCHEMBL3362037 0.82 PIK3CA (0.43) JAK3JAK1SYKMTORMAPK9
SCHEMBL3358663 0.81 ZAP70 (0.57) JAK3JAK2JAK1TYK2SYK
SCHEMBL3359372 0.81 TGFBR1 (0.40) JAK3JAK2JAK1TYK2SYK

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