SCHEMBL28290484

SCHEMBL28290484

CC1CN(Cc2nccs2)CCN1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.51
▸ CYP2D6 P10635 7/20 0.49
▸ TSHR P16473 6/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ MAPK1 P28482 3/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 6/20 0.41
▸ CYP2C19 P33261 3/20 0.40
▸ PDE8B O95263 3/20 0.39
▸ PDE8A O60658 2/20 0.39
▸ USP2 O75604 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37

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 SCHEMBL28289208 0.86 ALOX15 (0.40) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL211751 0.78 ALOX15 (0.72) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL4914558 0.78 ALOX15 (0.72) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL19381825 0.77 LMNA (0.52) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL15084367 0.77 LMNA (0.52) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL14375259 0.75 ALOX15 (0.52) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL18709319 0.73 ALOX15 (0.47) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL14338850 0.73 ALOX15 (0.56) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL13676575 0.72 ALOX15 (0.44) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL4487346 0.72 ALOX15 (0.59) ALOX15CYP2D6TSHRALDH1A1CYP2C9

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
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