SCHEMBL18924097

SCHEMBL18924097

C#C/C=C\C(=C/C)c1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.47
▸ AURKA O14965 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ RET P07949 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ MET P08581 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ MAP2K2 P36507 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46

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
SCHEMBL25881232 0.79 AURKA (0.49) KDM4EAURKAJAK2ABL1NTRK1
SCHEMBL18298073 0.72 AURKA (0.68) KDM4EAURKAJAK2ABL1NTRK1
SCHEMBL4274072 0.72 NPC1 (0.63) KDM4EAURKAJAK2ABL1NTRK1
SCHEMBL4274067 0.72 NPC1 (0.63) KDM4EAURKAJAK2ABL1NTRK1
SCHEMBL4274076 0.72 NPC1 (0.63) KDM4EAURKAJAK2ABL1NTRK1
SCHEMBL25107156 0.71 AURKA (0.46) KDM4EAURKAJAK2ABL1NTRK1
SCHEMBL18866434 0.70 MAPT (0.66) KDM4EAURKAJAK2ABL1NTRK1
SCHEMBL1765847 0.69 AURKA (0.63) KDM4EAURKAJAK2ABL1NTRK1
SCHEMBL250112 0.69 AURKA (0.63) KDM4EAURKAJAK2ABL1NTRK1
SCHEMBL11795043 0.68 MAPT (0.68) KDM4EAURKAJAK2ABL1NTRK1

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-9669243-B2 Delivery of hydrophobic benefit agents from bodywashes and the like onto a keratinous substrate BASF SE (DE) 2017-06-06 — — US disclosed
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