SCHEMBL28290433

SCHEMBL28290433

CC1CNCCN1Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
HRH3 Q9Y5N1 1/20 0.48
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
HIF1A Q16665 4/20 0.42
EPAS1 Q99814 4/20 0.42
HTR6 P50406 1/20 0.41
CYP2C9 P11712 1/20 0.41
NAMPT P43490 1/20 0.41

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
Tert-Butyl Formate SCHEMBL28290431 0.88 KDM4E (0.47) KDM4EPOLBHRH3CHRNB2CHRNA4
Pyridine SCHEMBL28167226 0.85 TP53 (0.44) KDM4EPOLBTP53MDM2
SCHEMBL104699 0.82 SIGMAR1 (0.51)
SCHEMBL104187 0.82 SIGMAR1 (0.51)
SCHEMBL104186 0.82 SIGMAR1 (0.51)
SCHEMBL27930152 0.81 CHRNB2 (0.46) KDM4EPOLBCHRNB2CHRNA4TP53
Hydrochloric Acid SCHEMBL27966160 0.81 SIGMAR1 (0.50)
SCHEMBL8290762 0.81 KDM4E (0.69) KDM4EPOLBHRH3CHRNB2CHRNA4
SCHEMBL18291385 0.81 ALDH1A1 (0.45) KDM4EPOLBHRH3CHRNB2CHRNA4
SCHEMBL4629587 0.80 CHRNB2 (0.44) KDM4EPOLBCHRNB2CHRNA4TP53

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