SCHEMBL27882007

SCHEMBL27882007

NCc1ccc(CC(=O)Nc2ccc(-c3ccc4ncc(N5CCN(c6cnccn6)CC5)nc4c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 12/20 0.47
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PORCN Q9H237 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL1442275 0.91 KDM4E (0.52) WNT3AMAPTLMNATP53PORCN
SCHEMBL1442679 0.91 WNT3A (0.47) WNT3AMAPTLMNATP53PORCN
SCHEMBL27882033 0.90 HTR1A (0.47) WNT3AMAPTPORCN
SCHEMBL10179313 0.89 MAPT (0.52) WNT3AMAPTLMNATP53KDM4E
SCHEMBL1442321 0.89 KARS1 (0.49) WNT3AMAPTLMNATP53PORCN
SCHEMBL27865624 0.87 HTR1A (0.47) WNT3AMAPTPORCNMAPK1
SCHEMBL10179752 0.86 WNT3A (0.44) WNT3AMAPTLMNATP53PORCN
SCHEMBL10179379 0.86 KDM4E (0.51) WNT3AMAPTLMNATP53KDM4E
SCHEMBL1442809 0.85 MAPT (0.52) WNT3AMAPTLMNATP53
SCHEMBL1443877 0.84 DRD2 (0.46) WNT3AMAPTLMNATP53RXFP1

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
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN claimed
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