SCHEMBL21986162

SCHEMBL21986162

Cc1cnc(I)c2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
PRKCI P41743 1/20 0.44
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
CFB P00751 3/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 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
SCHEMBL2628879 0.80 PRKCI (0.47) AXLPRKCICCR1CCR5CCR8
SCHEMBL2628869 0.77 AXL (0.53) AXLPRKCICCR1CCR5CCR8
SCHEMBL27290679 0.74 AXL (0.42) AXLPRKCICCNKCDK12CFB
SCHEMBL8735125 0.74 PRKCI (0.42) AXLPRKCICCR1CCR5CCR8
SCHEMBL16382707 0.73 AXL (0.41) AXLPRKCICCNKCDK12CFB
SCHEMBL8737415 0.72 AXL (0.47) AXLPRKCICCR1CCR5CCR8
SCHEMBL3272742 0.72 AXL (0.40) AXLPRKCICFBPIK3C3
SCHEMBL16382691 0.70 BTK (0.45) AXLPRKCIPIK3C3JAK2JAK1
SCHEMBL15280126 0.69 CYP1A2 (0.33) AXLPRKCICCR8CFB
SCHEMBL18479114 0.69 AXL (0.53) AXLPRKCICCR1CCR5CCR8

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
EP-3172214-B1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-05-13 EP disclosed