SCHEMBL3359627

SCHEMBL3359627

COc1ccccc1-c1cc2c(c(Nc3ccc(C4CCN(C)CC4)cc3)n1)C(=O)[N]C=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.42
ALK Q9UM73 2/20 0.40
INSR P06213 2/20 0.40
NPM1 P06748 1/20 0.40
ZAP70 P43403 1/20 0.40
MAPK7 Q13164 1/20 0.40
EGFR P00533 1/20 0.40
KMT2A Q03164 1/20 0.39
TNK2 Q07912 2/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR5A P47898 1/20 0.38
WEE1 P30291 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
SCHEMBL3362622 0.90 SYK (0.37) MAP4K1EGFRBTKJAK2PTK2
SCHEMBL3362901 0.90 MAP4K1 (0.44) MAP4K1INSRZAP70MAPK7EGFR
SCHEMBL3358417 0.88 JAK2 (0.41) MAP4K1ALKZAP70MAPK7EGFR
SCHEMBL3358521 0.84 ZAP70 (0.40) MAP4K1INSRZAP70EGFRTNK2
SCHEMBL3357921 0.83 ZAP70 (0.47) MAP4K1ZAP70EGFRBRD4
SCHEMBL3362632 0.83 ZAP70 (0.45) MAP4K1ZAP70JAK2PTK2BRD4
SCHEMBL3361998 0.82 ZAP70 (0.42) MAP4K1ALKZAP70EGFRWEE1
SCHEMBL3359111 0.82 ZAP70 (0.52) MAP4K1ZAP70EGFRBRD4
SCHEMBL3361999 0.82 MAP4K1 (0.51) MAP4K1ZAP70EGFRBTKBRD4
SCHEMBL3359724 0.82 ZAP70 (0.40) MAP4K1ALKZAP70EGFRBTK

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed