SCHEMBL28290450

SCHEMBL28290450

COCCN1CCN(c2ccc(C=O)cc2)CC1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.39
CTSC P53634 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD3 P35462 1/20 0.37
PTGER4 P35408 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ADORA2A P29274 2/20 0.35
MAP3K12 Q12852 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL28290449 0.93 ALDH1A1 (0.47) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL19057548 0.78 ALDH1A1 (0.61) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL28290432 0.75 MAPK1 (0.49) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL13849418 0.75 DPP4 (0.40) CTSCMAPTDRD3LRRK2ADORA2A
SCHEMBL22642860 0.75 CTSC (0.47) CTSCMAPTDRD3LRRK2MAP3K12
SCHEMBL13849417 0.75 DPP4 (0.40) CTSCMAPTDRD3LRRK2ADORA2A
SCHEMBL13849432 0.74 MAP3K12 (0.40) ALDH1A1CTSCDRD3LRRK2ADORA2A
SCHEMBL28703960 0.74 TRIM24 (0.55) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL28690294 0.73 ALDH1A1 (0.58) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL28690267 0.73 ALDH1A1 (0.50) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2

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-109563092-B 2-phenylimidazo [4,5-B ] pyridin-7-amine derivatives useful as inhibitors of the activity of the mammalian tyrosine kinase ROR1 坎塞拉有限公司 2021-09-14 CN disclosed
CN-109563092-A It can be used as the 2- phenylimidazole of the active inhibitor of mammal tyrosine kinase ROR1 simultaneously [4,5-B] pyridine -7- amine derivative 坎塞拉有限公司 2019-04-02 CN disclosed