SCHEMBL3361956

SCHEMBL3361956

COc1nccnc1-c1cc2c(c(Nc3ccc(N4CCOCC4)c(F)c3)n1)C(=O)[N]C=C2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
BTK Q06187 2/20 0.39
HTT P42858 1/20 0.39
P2RX3 P56373 2/20 0.39
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
MTOR P42345 1/20 0.39
JAK3 P52333 3/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
SYK P43405 3/20 0.38
CSF1R P07333 1/20 0.37
CDK4 P11802 1/20 0.37
CDK6 Q00534 1/20 0.37
BCL6 P41182 1/20 0.37
LCK P06239 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
SCHEMBL3362890 0.90 ZAP70 (0.39) EGFRBTKP2RX3CCNT1CDK9
SCHEMBL3359607 0.89 KDR (0.41) JAK3JAK2SYK
SCHEMBL3356910 0.85 MTOR (0.42) EGFRBTKP2RX3CCNT1CDK9
SCHEMBL3359372 0.84 TGFBR1 (0.40) EGFRBTKHTTP2RX3MTOR
SCHEMBL3359096 0.82 JAK3 (0.41) EGFRBTKHTTP2RX3MTOR
SCHEMBL3359217 0.81 ZAP70 (0.49) EGFRBTKHTTP2RX3CCNT1
SCHEMBL3359650 0.80 SYK (0.39) EGFRBTKHTTP2RX3MTOR
SCHEMBL1048402 0.79 ZAP70 (0.52) HTTP2RX3CCNT1CDK9CCNA2
SCHEMBL27826631 0.79 JAK3 (0.39) EGFRBTKHTTP2RX3CCNT1
SCHEMBL3362516 0.76 ZAP70 (0.47) EGFRBTKP2RX3CDK2MTOR

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