SCHEMBL29954069

SCHEMBL29954069

O=Cc1nccc2c(Br)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
PIM3 Q86V86 4/20 0.35
PIM1 P11309 4/20 0.35
PRKCI P41743 1/20 0.33
KMT2A Q03164 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CLK1 P49759 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
DAO P14920 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
MAPK1 P28482 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
HASPIN Q8TF76 1/20 0.31
TRIM24 O15164 2/20 0.31

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
SCHEMBL29957644 0.79 KDM5A (0.41) AXLPRKCIKMT2ADYRK1ADAO
SCHEMBL29955676 0.79 KMT2A (0.33) PIM1KMT2ACCR1CCR5CCR8
SCHEMBL21917254 0.77 AXL (0.43) AXLPIM1PRKCICLK1GSK3B
SCHEMBL6219703 0.72 AXL (0.40) AXLPIM3PIM1PRKCICLK1
SCHEMBL13909727 0.69 PIM3 (0.48) PIM3PIM1KMT2APIM2CCR1
SCHEMBL29952712 0.69 PIM3 (0.48) PIM3PIM1KMT2APIM2CCR1
SCHEMBL13996388 0.68 AXL (0.41) AXLPIM3PIM1KMT2APIM2
SCHEMBL29952576 0.67
SCHEMBL29936066 0.66 GRM5 (0.40) AXLCCR1CCR5CCR8CYP2A6
SCHEMBL29951565 0.66 MAPT (0.44) PIM3KMT2ACLK1GSK3BCDK5

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed