SCHEMBL30301282

SCHEMBL30301282

Cc1ccc(NCc2ccc(-c3ccccn3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ NTRK1 P04629 1/20 0.59
▸ LCK P06239 1/20 0.59
▸ CSF1R P07333 1/20 0.59
▸ RET P07949 1/20 0.59
▸ MET P08581 1/20 0.59
▸ PDGFRB P09619 1/20 0.59
▸ PIM1 P11309 1/20 0.59
▸ PDGFRA P16234 1/20 0.59
▸ FLT3 P36888 1/20 0.59
▸ MAPK8 P45983 1/20 0.59
▸ CDK8 P49336 1/20 0.59
▸ MAP2K1 Q02750 1/20 0.59
▸ MAP4K2 Q12851 1/20 0.59
▸ ROCK1 Q13464 1/20 0.59
▸ NTRK3 Q16288 1/20 0.59
▸ MAPK14 Q16539 1/20 0.59
▸ AURKB Q96GD4 1/20 0.59
▸ HTT P42858 1/20 0.58

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
SCHEMBL29577473 0.80 TP53 (0.59) FLT3HTTHIF1AALDH1A1MEN1
SCHEMBL39128 0.80 TP53 (0.59) FLT3HTTHIF1AALDH1A1MEN1
SCHEMBL11512045 0.79 HTT (0.79) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL12339129 0.79 TP53 (0.57) FLT3HTTHIF1AALDH1A1MEN1
Hydrochloric Acid SCHEMBL7060038 0.79 TP53 (0.57) FLT3HTTHIF1AALDH1A1MEN1
SCHEMBL17709417 0.79 TP53 (0.57) FLT3HTTHIF1AALDH1A1MEN1
SCHEMBL1815589 0.79 TP53 (0.57) FLT3HTTHIF1AALDH1A1MEN1
SCHEMBL17709414 0.79 TP53 (0.57) FLT3HTTHIF1AALDH1A1MEN1
Bromide SCHEMBL7055840 0.79 TP53 (0.57) FLT3HTTHIF1AALDH1A1MEN1
SCHEMBL346638 0.79 TP53 (0.57) FLT3HTTHIF1AALDH1A1MEN1

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-115745808-B Method for preparing secondary amine compound by catalyzing reduction of imine compound 延安大学 2024-04-30 — — CN disclosed
CN-115745808-A Method for preparing secondary amine compound by catalyzing reduction of imine compound 延安大学 2023-03-07 — — CN disclosed
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