SCHEMBL11403548

SCHEMBL11403548

N#CCCc1ccc2cccc3c2c1C(=O)N3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.46
▸ CHEK1 O14757 3/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MYLK Q15746 1/20 0.32
▸ LRRK2 Q5S007 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ ATG4B Q9Y4P1 4/20 0.30
▸ CES1 P23141 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PDGFRA P16234 1/20 0.30
▸ FER P16591 1/20 0.30
▸ LTK P29376 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ ACVR1 Q04771 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
SCHEMBL10905704 0.81 KMT2A (0.40) CDK2KMT2AKDM4EPARP1MEN1
SCHEMBL10865297 0.79 KMT2A (0.42) CDK2KMT2AKDM4EPARP1ALDH1A1
SCHEMBL11838515 0.78 KMT2A (0.38) CDK2KMT2APARP1MEN1ALDH1A1
SCHEMBL21104441 0.74 CDK2 (0.47) CDK2KMT2APARP1ALDH1A1POLB
SCHEMBL24317500 0.69 CDK2 (0.44) CDK2CHEK1KMT2AKDM4EPARP1
SCHEMBL7936537 0.69 RAD52 (0.44) KMT2AKDM4EPARP1MEN1TDP1
SCHEMBL11318564 0.69 KMT2A (0.45) CDK2KMT2APARP1MEN1TDP1
SCHEMBL11204216 0.68 PARP1 (0.58) CDK2KMT2AKDM4EPARP1MEN1
SCHEMBL27936606 0.67 ALDH1A1 (0.53) KMT2AKDM4EPARP1MEN1TDP1
SCHEMBL11210705 0.67 PARP1 (0.56) CDK2KMT2AKDM4EPARP1MEN1

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
JP-55142056-A — — None — — JP disclosed
JP-S55142056-A PREPARATION OF BASIC DYE MITSUBISHI CHEM IND LTD 1980-11-06 — — JP disclosed
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