SCHEMBL28219484

SCHEMBL28219484

Bc1ccn2c(C)nnc2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.42
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
PBRM1 Q86U86 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3302959 0.76 DNMT1 (0.42) DNMT1KDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL22123582 0.74 DNMT1 (0.41) DNMT1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL26373760 0.72 DNMT1 (0.42) DNMT1KDM4E
SCHEMBL12510370 0.72 CYP1A2 (0.44) DNMT1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL27190359 0.72 PIM1 (0.44) DNMT1KDM4E
SCHEMBL27256674 0.72 KDR (0.51) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20646852 0.69 HTT (0.44) DNMT1KDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3300004 0.69 ALDH1A1 (0.47) DNMT1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22124434 0.68 SMN1; SMN2 (0.36) DNMT1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL17232810 0.67 BRD4 (0.38) DNMT1KDM4ESMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137600-A Condensed pyrazole derivatives as kinase inhibitor UCB生物制药私人有限公司 2018-06-08 CN disclosed