SCHEMBL19669736

SCHEMBL19669736

CC(C)(I)NC(=O)/C=C/CN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.37
CDK7 P50613 3/20 0.36
CDK13 Q14004 3/20 0.36
BTK Q06187 2/20 0.36
EGFR P00533 4/20 0.35
ERBB2 P04626 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PAOX Q6QHF9 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL15600841 0.88 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2KDM4ECDK7
SCHEMBL19669735 0.87 KDM4E (0.37) MEN1KMT2ASMN1; SMN2KDM4ECDK7
SCHEMBL19669759 0.85 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2BTKEGFR
SCHEMBL19442310 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2KDM4ECDK7
SCHEMBL21889706 0.82 MEN1 (0.42) MEN1KMT2ASMN1; SMN2KDM4ECDK7
SCHEMBL27451925 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4ECDK7
SCHEMBL27451922 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4ECDK7
SCHEMBL14079971 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4ECDK7
SCHEMBL19669934 0.80 SIGMAR1 (0.39) KDM4EEGFR
SCHEMBL21889962 0.80 KMT2A (0.46) MEN1KMT2ASMN1; SMN2KDM4ECDK7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed