SCHEMBL3359217

SCHEMBL3359217

Cc1ccncc1-c1cc2c(c(Nc3ccc(N4CCOCC4)c(F)c3)n1)C(=O)[N]C=C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.49
JAK3 P52333 5/20 0.44
JAK2 O60674 3/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 1/20 0.44
HTT P42858 1/20 0.41
EGFR P00533 3/20 0.39
BTK Q06187 3/20 0.39
SYK P43405 2/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
CSF1R P07333 1/20 0.36
CDK4 P11802 1/20 0.36
CDK6 Q00534 1/20 0.36
BRD4 O60885 2/20 0.35
FLT3 P36888 1/20 0.35
MAPT P10636 1/20 0.35
P2RX3 P56373 1/20 0.35
BRDT Q58F21 1/20 0.35
CCNT1 O60563 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
SCHEMBL3359650 0.86 SYK (0.39) JAK3JAK2JAK1TYK2HTT
SCHEMBL3359096 0.84 JAK3 (0.41) JAK3JAK2JAK1TYK2HTT
SCHEMBL3360938 0.82 ZAP70 (0.49) ZAP70JAK3JAK2JAK1TYK2
SCHEMBL3356910 0.81 MTOR (0.42) JAK3JAK2JAK1TYK2EGFR
SCHEMBL3361956 0.81 EGFR (0.39) JAK3JAK2JAK1TYK2HTT
SCHEMBL3359372 0.80 TGFBR1 (0.40) JAK3JAK2JAK1TYK2HTT
SCHEMBL1044950 0.79 ZAP70 (0.79) ZAP70JAK3JAK2JAK1TYK2
SCHEMBL27826829 0.78 ZAP70 (0.47) ZAP70JAK3JAK2JAK1TYK2
SCHEMBL3358704 0.78 PIK3CA (0.44) ZAP70SYKMAPK9MAPK10
SCHEMBL3362037 0.76 PIK3CA (0.43) ZAP70JAK3JAK1SYKMAPK9

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