SCHEMBL3356910

SCHEMBL3356910

COc1ncc(-c2cc3c(c(Nc4ccc(N5CCOCC5)c(F)c4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.42
P2RX3 P56373 2/20 0.41
PIK3CG P48736 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
SYK P43405 3/20 0.40
BCL6 P41182 1/20 0.40
CSF1R P07333 1/20 0.39
CDK4 P11802 1/20 0.39
CDK6 Q00534 1/20 0.39
JAK3 P52333 3/20 0.39
LCK P06239 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
TNIK Q9UKE5 1/20 0.38
EGFR P00533 2/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL3362516 0.90 ZAP70 (0.47) MTORP2RX3PIK3CGPIK3CDPIK3CA
SCHEMBL3359096 0.89 JAK3 (0.41) MTORP2RX3SYKCSF1RCDK4
SCHEMBL3362714 0.89 ABL1 (0.45) MTORPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3361956 0.85 EGFR (0.39) MTORP2RX3SYKBCL6CSF1R
SCHEMBL3359372 0.84 TGFBR1 (0.40) MTORP2RX3SYKBCL6JAK3
SCHEMBL3358704 0.82 PIK3CA (0.44) MTORPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3362713 0.81 ZAP70 (0.56) MTORP2RX3PIK3CGPIK3CDPIK3CA
SCHEMBL3361838 0.81 ZAP70 (0.40) MTORP2RX3PIK3CGPIK3CDPIK3CA
SCHEMBL3359217 0.81 ZAP70 (0.49) P2RX3SYKCSF1RCDK4CDK6
SCHEMBL3359073 0.81 TNIK (0.42) SYKCSF1RTNIKEGFR

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