SCHEMBL28824429

SCHEMBL28824429

C#CC1CCCN(C(=O)CC)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 3/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
CHRNB2 P17787 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA4 P43681 3/20 0.40
EPHX2 P34913 2/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA7 P36544 2/20 0.39
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35

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
SCHEMBL24521475 0.82 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1EPHX2SMN1; SMN2
SCHEMBL3762272 0.81 ALDH1A1 (0.40) MAPTALDH1A1LMNACHRNB2CHRNA3
SCHEMBL3757533 0.79 HPGD (0.36) ALDH1A1LMNAMAPK1HPGDKDM4E
SCHEMBL16042352 0.77 ALDH1A1 (0.39) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL12182476 0.76 MEN1 (0.58) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL478307 0.75 ALDH1A1 (0.71) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL22474755 0.75 ALDH1A1 (0.71) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL15014489 0.75 ALDH1A1 (0.71) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL10305071 0.75 MEN1 (0.47) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL13612864 0.75 MEN1 (0.47) MEN1KMT2APOLBMAPTALDH1A1

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
CN-105324380-A Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors ABBVIE INC 2016-02-10 CN disclosed
CN-105246890-A Pyrrolo[2, 3-b]pyridine cdk9 kinase inhibitors ABBVIE INC 2016-01-13 CN disclosed