SCHEMBL19296202

SCHEMBL19296202

C1=CN=C(c2ccc[nH]2)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
AURKA O14965 1/20 0.31
KDR P35968 1/20 0.31
MAOB P27338 1/20 0.31
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL630634 0.67 HDAC6 (0.41) CDK5CDK5R1AURKAKDRKDM4C
Hydrochloric Acid SCHEMBL7988951 0.64 HDAC6 (0.40) CDK5CDK5R1AURKAKDRKDM4C
SCHEMBL31187621 0.64 CHRNB4 (0.42) CDK5CDK5R1
SCHEMBL22807093 0.63
SCHEMBL21807796 0.63 AURKA (0.35) AURKAKDRKDM4C
SCHEMBL17694181 0.61 KDM4C (0.40) CDK5CDK5R1AURKAKDRKDM4C
SCHEMBL3631373 0.61
SCHEMBL2466575 0.61 AURKA (0.32) AURKAKDRKDM4C
SCHEMBL6650225 0.61 AURKA (0.34) AURKAKDRKDM4C
SCHEMBL3873207 0.60 MEN1 (0.31) AURKAKDRKDM4C

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-20170250363-A1 LIGHT-EMITTING LAYER SUITABLE FOR BRIGHT LUMINESCENCE CYNORA GMBH (DE) 2017-08-31 US disclosed